benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride

C14H21ClN2O2 — CID 119081423

IUPACbenzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
SMILESC[C@@]1(N)CCCN(C(=O)OCc2ccccc2)C1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-14(15)8-5-9-16(11-14)13(17)18-10-12-6-3-2-4-7-12;/h2-4,6-7H,5,8-11,15H2,1H3;1H/t14-;/m1./s1
InChIKeyBYDVSNFTWXHPIN-PFEQFJNWSA-N
MW284.79 g/mol
LogP2.56
Rot. Bonds2

About benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride

benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride (PubChem CID 119081423) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
PubChem CID119081423
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Namebenzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
SMILESC[C@@]1(N)CCCN(C(=O)OCc2ccccc2)C1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-14(15)8-5-9-16(11-14)13(17)18-10-12-6-3-2-4-7-12;/h2-4,6-7H,5,8-11,15H2,1H3;1H/t14-;/m1./s1
InChIKeyBYDVSNFTWXHPIN-PFEQFJNWSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 3-amino-3-ethylpiperidine-1-carboxylate
CID 165464075
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate
CID 134129406
benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate
CID 164535142
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
benzyl (3S)-3-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 97175006
benzyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate
CID 71649497
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118883097
1-O-benzyl 3-O-methyl (3S)-3-methylpyrrolidine-1,3-dicarboxylate
CID 97294876
2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
CID 163342503
benzyl (3S)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 124634406
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride?
The IUPAC name of benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride (CID 119081423) is benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride is C[C@@]1(N)CCCN(C(=O)OCc2ccccc2)C1.Cl.
What is the InChIKey of benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride?
The InChIKey is BYDVSNFTWXHPIN-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-14(15)8-5-9-16(11-14)13(17)18-10-12-6-3-2-4-7-12;/h2-4,6-7H,5,8-11,15H2,1H3;1H/t14-;/m1./s1.
What are the key properties of benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride?
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 119081423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).