benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride

C14H21ClN2O2 — CID 141061173

IUPACbenzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
SMILESCN1CCC(NC(=O)OCc2ccccc2)CC1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-16-9-7-13(8-10-16)15-14(17)18-11-12-5-3-2-4-6-12;/h2-6,13H,7-11H2,1H3,(H,15,17);1H
InChIKeyLIPWBSHPSCLLIT-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.43
Rot. Bonds3

About benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride

benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride (PubChem CID 141061173) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
PubChem CID141061173
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Namebenzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
SMILESCN1CCC(NC(=O)OCc2ccccc2)CC1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-16-9-7-13(8-10-16)15-14(17)18-11-12-5-3-2-4-6-12;/h2-6,13H,7-11H2,1H3,(H,15,17);1H
InChIKeyLIPWBSHPSCLLIT-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 66566868
benzyl N-cyclobutylcarbamate;carbonic acid
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(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890
benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate
CID 66566535
benzyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566464
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
(3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 66775278

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride?
The IUPAC name of benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride (CID 141061173) is benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride.
What is the SMILES notation for benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride?
The canonical SMILES for benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride is CN1CCC(NC(=O)OCc2ccccc2)CC1.Cl.
What is the InChIKey of benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride?
The InChIKey is LIPWBSHPSCLLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-16-9-7-13(8-10-16)15-14(17)18-11-12-5-3-2-4-6-12;/h2-6,13H,7-11H2,1H3,(H,15,17);1H.
What are the key properties of benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride?
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride is sourced from PubChem (CID 141061173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).