1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid

C15H20ClNO3 — CID 5182680

IUPAC1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCOc1c(Cl)cc(C)cc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C15H20ClNO3/c1-10-6-12(14(20-2)13(16)7-10)9-17-5-3-4-11(8-17)15(18)19/h6-7,11H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyYEXLMBSEZDTXLS-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.95
Rot. Bonds4

About 1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid

1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 5182680) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID5182680
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCOc1c(Cl)cc(C)cc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C15H20ClNO3/c1-10-6-12(14(20-2)13(16)7-10)9-17-5-3-4-11(8-17)15(18)19/h6-7,11H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyYEXLMBSEZDTXLS-UHFFFAOYSA-N
XLogP2.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid 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-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 5235973
(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904832
1-[(2-ethyl-4,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 166303450
1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122040667
1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 75438342
1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3571915
1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidine-3-carboxylic acid
CID 91779862
(3S)-1-[(2-chloro-6-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24905028
1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026146
1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848176
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
1-[(2-chloro-6-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 114322169

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid (CID 5182680) is 1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid is COc1c(Cl)cc(C)cc1CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is YEXLMBSEZDTXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10-6-12(14(20-2)13(16)7-10)9-17-5-3-4-11(8-17)15(18)19/h6-7,11H,3-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid?
1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 297.78 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 5182680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).