3H-Spiro[isobenzofuran-1,4'-piperidine] Hydrochloride - CAS 37663-44-8
Catalog: |
BB023381 |
Product Name: |
3H-Spiro[isobenzofuran-1,4'-piperidine] Hydrochloride |
CAS: |
37663-44-8 |
Synonyms: |
spiro[1H-isobenzofuran-3,4'-piperidine];hydrochloride; spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride |
IUPAC Name: | spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride |
Description: | 3H-Spiro[isobenzofuran-1,4'-piperidine] Hydrochloride (CAS# 37663-44-8) is a (spiro)(hetero)cyclic amides as modulator of 11-β hydroxysteroid dehydrogenase type 1. |
Molecular Weight: | 225.71 |
Molecular Formula: | C12H16ClNO |
Canonical SMILES: | C1CNCCC12C3=CC=CC=C3CO2.Cl |
InChI: | InChI=1S/C12H15NO.ClH/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12;/h1-4,13H,5-9H2;1H |
InChI Key: | SFQFBDOOIIHNMY-UHFFFAOYSA-N |
MDL: | MFCD02179146 |
LogP: | 2.92630 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020104822-A1 | Compounds | 20181123 |
EP-3883650-A1 | Compounds | 20181123 |
KR-20210095647-A | compound | 20181123 |
WO-2015182734-A1 | Nitrogen-containing heterocyclic compound | 20140530 |
CA-2901577-A1 | Modulators of vasopressin receptors with therapeutic potential | 20130218 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.0920418 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.0920418 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 21.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Related Functional Groups
Benzofuran/Benzothiophene
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