methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate

C14H18ClNO2 — CID 71158967

IUPACmethyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1(Cc2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C14H18ClNO2/c1-18-13(17)14(6-8-16-9-7-14)10-11-2-4-12(15)5-3-11/h2-5,16H,6-10H2,1H3
InChIKeyGCQWDOINSILKLG-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.43
Rot. Bonds3

About methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate

methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate (PubChem CID 71158967) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
PubChem CID71158967
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Namemethyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1(Cc2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C14H18ClNO2/c1-18-13(17)14(6-8-16-9-7-14)10-11-2-4-12(15)5-3-11/h2-5,16H,6-10H2,1H3
InChIKeyGCQWDOINSILKLG-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
methyl 1-[(4-bromophenyl)methyl]cyclobutane-1-carboxylate
CID 116929677
1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone
CID 14700145
methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate
CID 116929692
methyl (1R)-1-[(4-chlorophenyl)methyl]-2-oxocyclopentane-1-carboxylate
CID 7100553
methyl 1-[(4-chlorophenyl)methyl]-2-oxocyclohexane-1-carboxylate
CID 5255758
methyl 1-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxylate
CID 116929728
N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63129179
methyl 1-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184435
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride
CID 66873031
3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide
CID 166613410

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate (CID 71158967) is methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate is COC(=O)C1(Cc2ccc(Cl)cc2)CCNCC1.
What is the InChIKey of methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate?
The InChIKey is GCQWDOINSILKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-18-13(17)14(6-8-16-9-7-14)10-11-2-4-12(15)5-3-11/h2-5,16H,6-10H2,1H3.
What are the key properties of methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate?
methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate has a molecular weight of 267.76 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 methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 71158967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).