4-Benzyl-4-hydroxypiperidine - CAS 51135-96-7
Catalog: |
BB027344 |
Product Name: |
4-Benzyl-4-hydroxypiperidine |
CAS: |
51135-96-7 |
Synonyms: |
4-(phenylmethyl)-4-piperidinol; 4-benzylpiperidin-4-ol |
IUPAC Name: | 4-benzylpiperidin-4-ol |
Description: | 4-Benzyl-4-hydroxypiperidine (CAS# 51135-96-7 ) is a useful research chemical. |
Molecular Weight: | 191.27 |
Molecular Formula: | C12H17NO |
Canonical SMILES: | C1CNCCC1(CC2=CC=CC=C2)O |
InChI: | InChI=1S/C12H17NO/c14-12(6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2 |
InChI Key: | KJZBZOFESQSBCV-UHFFFAOYSA-N |
Boiling Point: | 329 °C at 760 mmHg |
Density: | 1.085 g/cm3 |
Solubility: | >28.7 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00023147 |
LogP: | 1.67240 |
GHS Hazard Statement: | H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020059894-A1 | CH24H Inhibitors For Pain Use | 20180920 |
EP-3852757-A1 | Ch24h inhibitors for pain use | 20180920 |
US-2020308158-A1 | Bezoxazine derivatives useful as monoacylglycerol lipase inhibitors | 20171215 |
TW-201930295-A | Cycloalkyl acetic acid type diamide derivatives | 20171207 |
WO-2019111980-A1 | Cycloalkylacetic acid-type diamide derivative | 20171207 |
PMID | Publication Date | Title | Journal |
11714604 | 20011203 | 2-Aryl indole NK(1) antagonists: optimisation of the amide substituent | Bioorganic & medicinal chemistry letters |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.131014166 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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