1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid

C15H19Cl2NO2 — CID 3543654

IUPAC1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid
SMILESCCC(c1ccc(Cl)cc1Cl)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H19Cl2NO2/c1-2-14(12-6-5-11(16)8-13(12)17)18-7-3-4-10(9-18)15(19)20/h5-6,8,10,14H,2-4,7,9H2,1H3,(H,19,20)
InChIKeyVGIWTYWHXSEQSQ-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.24
Rot. Bonds4

About 1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid

1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid (PubChem CID 3543654) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid
PubChem CID3543654
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid
SMILESCCC(c1ccc(Cl)cc1Cl)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H19Cl2NO2/c1-2-14(12-6-5-11(16)8-13(12)17)18-7-3-4-10(9-18)15(19)20/h5-6,8,10,14H,2-4,7,9H2,1H3,(H,19,20)
InChIKeyVGIWTYWHXSEQSQ-UHFFFAOYSA-N
XLogP4.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid
CID 3942959
1-[(2,4-dichlorophenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4541327
1-[(4-bromophenyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4019879
1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122012056
1-[1-(2,4-dichlorophenyl)ethyl]piperidine-4-carboxylic acid
CID 3945055
1-[bis(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4588765
1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid
CID 4677151
1-[(5-chloro-2-ethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3561006
1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 3465091
1-[(4-chlorophenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid
CID 5024363
1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid
CID 4290710
1-[(4-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3428001

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid (CID 3543654) is 1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid is CCC(c1ccc(Cl)cc1Cl)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid?
The InChIKey is VGIWTYWHXSEQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-2-14(12-6-5-11(16)8-13(12)17)18-7-3-4-10(9-18)15(19)20/h5-6,8,10,14H,2-4,7,9H2,1H3,(H,19,20).
What are the key properties of 1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid?
1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid has a molecular weight of 316.23 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 3543654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).