benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride

C14H21ClN2O2 — CID 170991850

IUPACbenzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride
SMILESCl.NCN1CCCC[C@@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O2.ClH/c15-11-16-9-5-4-8-13(16)14(17)18-10-12-6-2-1-3-7-12;/h1-3,6-7,13H,4-5,8-11,15H2;1H/t13-;/m1./s1
InChIKeyGCYSFZOWITYPPU-BTQNPOSSSA-N
MW284.79 g/mol
LogP1.92
Rot. Bonds4

About benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride

benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride (PubChem CID 170991850) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride
PubChem CID170991850
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Namebenzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride
SMILESCl.NCN1CCCC[C@@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O2.ClH/c15-11-16-9-5-4-8-13(16)14(17)18-10-12-6-2-1-3-7-12;/h1-3,6-7,13H,4-5,8-11,15H2;1H/t13-;/m1./s1
InChIKeyGCYSFZOWITYPPU-BTQNPOSSSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-1-(aminomethyl)piperidine-2-carboxylate;benzyl (2S)-1-[(2-methylbutan-2-ylamino)methyl]piperidine-2-carboxylate
CID 159940810
benzyl (2S)-1-but-3-ynylpyrrolidine-2-carboxylate
CID 10061025
(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
CID 68786469
benzyl (2S)-1-[(2-methylbutan-2-ylamino)methyl]piperidine-2-carboxylate
CID 59049648
(4-methoxyphenyl)methyl (2R)-1-benzylpyrrolidine-2-carboxylate
CID 97063553
benzyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 59607548
ethyl (2S)-1-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-2-carboxylate
CID 138628046
benzyl 8-hydroxy-1-phosphanylazocane-2-carboxylate
CID 153035554
benzyl (2S)-1-[(2S)-2-(phenylmethoxycarbonylamino)propyl]pyrrolidine-2-carboxylate
CID 101460182
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
benzyl (2S)-1-[6-oxo-6-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]hexanoyl]pyrrolidine-2-carboxylate
CID 54052130
benzyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 13154144

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride?
The IUPAC name of benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride (CID 170991850) is benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride.
What is the SMILES notation for benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride?
The canonical SMILES for benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride is Cl.NCN1CCCC[C@@H]1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride?
The InChIKey is GCYSFZOWITYPPU-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c15-11-16-9-5-4-8-13(16)14(17)18-10-12-6-2-1-3-7-12;/h1-3,6-7,13H,4-5,8-11,15H2;1H/t13-;/m1./s1.
What are the key properties of benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride?
benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 170991850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).