1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid

C15H20ClNO2 — CID 106865235

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid
SMILESCc1ccc(CN2CCC(C)(C(=O)O)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-11-3-4-12(13(16)9-11)10-17-7-5-15(2,6-8-17)14(18)19/h3-4,9H,5-8,10H2,1-2H3,(H,18,19)
InChIKeyUMIFTFLWTYOMSR-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.34
Rot. Bonds3

About 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid

1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 106865235) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID106865235
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid
SMILESCc1ccc(CN2CCC(C)(C(=O)O)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-11-3-4-12(13(16)9-11)10-17-7-5-15(2,6-8-17)14(18)19/h3-4,9H,5-8,10H2,1-2H3,(H,18,19)
InChIKeyUMIFTFLWTYOMSR-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 65065050
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carbothioamide
CID 107161488
1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 114866930
1-[(2,4-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124425
1-[(2-chloro-4-methylphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 106865244
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine
CID 121478180
1-[(2-chloro-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 106865439
1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperidin-4-ol
CID 115695637
2-[1-[(2-chloro-4-methylphenyl)methyl]azetidin-3-yl]propanoic acid
CID 106865351
3-chloro-4-[(4,4-diethylpiperidin-1-yl)methyl]benzoic acid
CID 102669962
3-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]benzoic acid
CID 166594026
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124421

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid (CID 106865235) is 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid is Cc1ccc(CN2CCC(C)(C(=O)O)CC2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is UMIFTFLWTYOMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-3-4-12(13(16)9-11)10-17-7-5-15(2,6-8-17)14(18)19/h3-4,9H,5-8,10H2,1-2H3,(H,18,19).
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 281.78 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106865235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).