methyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate

C14H18ClNO2 — CID 117028082

IUPACmethyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ccc(Cl)cc2C)C1
InChIInChI=1S/C14H18ClNO2/c1-10-8-12(15)5-6-13(10)16-7-3-4-11(9-16)14(17)18-2/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeySRCQHHFOIUBNRJ-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.04
Rot. Bonds2

About methyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate

methyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate (PubChem CID 117028082) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is methyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate
PubChem CID117028082
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Namemethyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ccc(Cl)cc2C)C1
InChIInChI=1S/C14H18ClNO2/c1-10-8-12(15)5-6-13(10)16-7-3-4-11(9-16)14(17)18-2/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeySRCQHHFOIUBNRJ-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-(4-chloro-2-methylphenyl)piperidine-3-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

methyl 1-(3-chloro-4-pyridinyl)piperidine-3-carboxylate
CID 115538455
methyl 1-(5-chloro-2-methyl-4-nitrophenyl)piperidine-3-carboxylate
CID 115556262
2-[[1-(4-chloro-2-methylphenyl)piperidin-3-yl]amino]acetonitrile
CID 117004800
methyl (3S)-1-(2,4-dichlorobenzoyl)piperidine-3-carboxylate
CID 78919345
methyl (3S)-1-(3-chlorophenyl)pyrrolidine-3-carboxylate
CID 124638264
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 117028088
1-(4-bromo-2-methylphenyl)piperidine-3-carboxylic acid
CID 117008239
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
methyl 1-(2-cyanophenyl)piperidine-3-carboxylate
CID 78920451

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate (CID 117028082) is methyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate is COC(=O)C1CCCN(c2ccc(Cl)cc2C)C1.
What is the InChIKey of methyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate?
The InChIKey is SRCQHHFOIUBNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-8-12(15)5-6-13(10)16-7-3-4-11(9-16)14(17)18-2/h5-6,8,11H,3-4,7,9H2,1-2H3.
What are the key properties of methyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate?
methyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate has a molecular weight of 267.76 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate is sourced from PubChem (CID 117028082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).