benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride

C14H21ClN2O2 — CID 67098710

IUPACbenzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride
SMILESCl.O=C(O)N(Cc1ccccc1)C[C@@H]1CCCNC1
InChIInChI=1S/C14H20N2O2.ClH/c17-14(18)16(10-12-5-2-1-3-6-12)11-13-7-4-8-15-9-13;/h1-3,5-6,13,15H,4,7-11H2,(H,17,18);1H/t13-;/m1./s1
InChIKeyZTLAADXPAUGDMA-BTQNPOSSSA-N
MW284.79 g/mol
LogP2.59
Rot. Bonds4

About benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride

benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride (PubChem CID 67098710) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride.

Molecular Properties

Compound Namebenzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride
PubChem CID67098710
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Namebenzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride
SMILESCl.O=C(O)N(Cc1ccccc1)C[C@@H]1CCCNC1
InChIInChI=1S/C14H20N2O2.ClH/c17-14(18)16(10-12-5-2-1-3-6-12)11-13-7-4-8-15-9-13;/h1-3,5-6,13,15H,4,7-11H2,(H,17,18);1H/t13-;/m1./s1
InChIKeyZTLAADXPAUGDMA-BTQNPOSSSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
CID 66569373
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine
CID 97168574
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate
CID 96555658
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736

Frequently Asked Questions

What is the IUPAC name of benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride?
The IUPAC name of benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride (CID 67098710) is benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride.
What is the SMILES notation for benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride?
The canonical SMILES for benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride is Cl.O=C(O)N(Cc1ccccc1)C[C@@H]1CCCNC1.
What is the InChIKey of benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride?
The InChIKey is ZTLAADXPAUGDMA-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c17-14(18)16(10-12-5-2-1-3-6-12)11-13-7-4-8-15-9-13;/h1-3,5-6,13,15H,4,7-11H2,(H,17,18);1H/t13-;/m1./s1.
What are the key properties of benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride?
benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride is sourced from PubChem (CID 67098710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).