[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate

C14H19ClN2O2 — CID 91291495

IUPAC[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate
SMILESCNC(=O)OC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-16-14(18)19-12-6-8-17(9-7-12)10-11-4-2-3-5-13(11)15/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyJXQCKQFSRYKZAL-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.66
Rot. Bonds3

About [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate

[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate (PubChem CID 91291495) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate
PubChem CID91291495
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate
SMILESCNC(=O)OC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-16-14(18)19-12-6-8-17(9-7-12)10-11-4-2-3-5-13(11)15/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyJXQCKQFSRYKZAL-UHFFFAOYSA-N
XLogP2.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate 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

[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 10645832
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 119879595
[2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42150850
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-methylbutan-1-one
CID 155674278
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
CID 3362451
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 28630305
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900561
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 4319711

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate?
The IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate (CID 91291495) is [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate is CNC(=O)OC1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate?
The InChIKey is JXQCKQFSRYKZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-16-14(18)19-12-6-8-17(9-7-12)10-11-4-2-3-5-13(11)15/h2-5,12H,6-10H2,1H3,(H,16,18).
What are the key properties of [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate?
[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate has a molecular weight of 282.77 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate is sourced from PubChem (CID 91291495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).