(4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate

C14H18ClNO2 — CID 977021

IUPAC(4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate
SMILESCc1cc(OC(=O)N2CCCCC2)cc(C)c1Cl
InChIInChI=1S/C14H18ClNO2/c1-10-8-12(9-11(2)13(10)15)18-14(17)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3
InChIKeyIXXSSTXQEIUPPW-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.94
Rot. Bonds1

About (4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate

(4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate (PubChem CID 977021) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate
PubChem CID977021
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate
SMILESCc1cc(OC(=O)N2CCCCC2)cc(C)c1Cl
InChIInChI=1S/C14H18ClNO2/c1-10-8-12(9-11(2)13(10)15)18-14(17)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3
InChIKeyIXXSSTXQEIUPPW-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate 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

4-Chloro-3,5-dimethylphenyl morpholine-4-carboxylate
CID 977157
4-(4-Chloro-3,5-dimethylphenoxy)-1-(piperidin-1-yl)butan-1-one
CID 1575795
2-(4-Chloro-3,5-dimethylphenoxy)-1-morpholinoethanone
CID 748767
Carbamic acid, methyl-, 4-chloro-3,5-xylyl ester
CID 12653
4-Chloro-3,5-dimethylphenyl dimethylcarbamate
CID 6463817
4-Chloro-3-methylphenyl dimethylcarbamate
CID 228188
4-[3-(4-Chloro-3,5-dimethylphenoxy)propyl]morpholine
CID 1900415
(4-chloro-3-methylphenyl) N,N-diethylcarbamate
CID 76323880
(4-Fluoro-3-methylphenyl) piperidine-1-carboxylate
CID 142847822
(4-chloro-3-fluoro-5-methylphenyl) N,N-diethylcarbamate
CID 156251358
Tert-butyl 4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 159837076
(4-chloro-2-fluoro-5-methylphenyl) N,N-dimethylcarbamate
CID 168122865

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate?
The IUPAC name of (4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate (CID 977021) is (4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate.
What is the SMILES notation for (4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate?
The canonical SMILES for (4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate is Cc1cc(OC(=O)N2CCCCC2)cc(C)c1Cl.
What is the InChIKey of (4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate?
The InChIKey is IXXSSTXQEIUPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-8-12(9-11(2)13(10)15)18-14(17)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3.
What are the key properties of (4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate?
(4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate has a molecular weight of 267.76 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3,5-dimethylphenyl) piperidine-1-carboxylate is sourced from PubChem (CID 977021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).