1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid

C16H22ClNO2 — CID 104599302

IUPAC1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCC(c1cccc(Cl)c1)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C16H22ClNO2/c1-3-14(12-7-6-8-13(17)11-12)18-10-5-4-9-16(18,2)15(19)20/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,19,20)
InChIKeyUTARVZFSJLKWQF-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.12
Rot. Bonds4

About 1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid

1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104599302) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104599302
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCC(c1cccc(Cl)c1)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C16H22ClNO2/c1-3-14(12-7-6-8-13(17)11-12)18-10-5-4-9-16(18,2)15(19)20/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,19,20)
InChIKeyUTARVZFSJLKWQF-UHFFFAOYSA-N
XLogP4.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid
CID 114079270
2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid
CID 104599033
1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071570
2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216309
1-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 65066590
4-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-2-one
CID 82131677
1-(2,6-dichlorophenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595612
2-(1-aminocyclopentyl)-N-[1-(3-chlorophenyl)propyl]acetamide
CID 64683806
1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595208
1-[(5-chloro-2-nitrophenyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 104598857
benzhydryl (2R)-2-(3-chlorophenyl)butanoate
CID 25198719
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid (CID 104599302) is 1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid is CCC(c1cccc(Cl)c1)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is UTARVZFSJLKWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-3-14(12-7-6-8-13(17)11-12)18-10-5-4-9-16(18,2)15(19)20/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid?
1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 295.81 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104599302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).