tert-Butyl N-[rel-(3R,4R)-3-methyl-4-piperidyl]carbamate - CAS 473839-07-5

Catalog:	BB062176
Product Name:	tert-Butyl N-[rel-(3R,4R)-3-methyl-4-piperidyl]carbamate
CAS:	473839-07-5
Synonyms:	tert-butyl N-[trans-3-methylpiperidin-4-yl]carbamate; (3R,4R)-(3-Methyl-piperidin-4-yl)-carbamic acid tert-butyl ester; TERT-BUTYL N-[(3R,4R)-3-METHYLPIPERIDIN-4-YL]CARBAMATE; rel-tert-Butyl ((3R,4R)-3-methylpiperidin-4-yl)carbamate; Carbamic acid, [(3R,4R)-3-methyl-4-piperidinyl]-, 1,1-dimethylethyl ester, rel-; tert-Butyl ((3R,4R)-3-methylpiperidin-4-yl)carbamate; tert-Butyl n-[(3r,4r)-3-methyl-4-piperidyl]carbamate

Technical Data

IUPAC Name:	tert-butyl N-[(3R,4R)-3-methylpiperidin-4-yl]carbamate
Molecular Weight:	214.3
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC1CNCCC1NC(=O)OC(C)(C)C
InChI:	InChI=1S/C11H22N2O2/c1-8-7-12-6-5-9(8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m1/s1
InChI Key:	LHSNRJGZDUFKQT-RKDXNWHRSA-N
References:	De Souza, N. et al. U.S. Pat. Appl. Publ. (2003).

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	214.168127949
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.168127949
Rotatable Bond Count:	3
Topological Polar Surface Area:	50.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5