1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid

C16H20N2O2 — CID 63136635

IUPAC1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(c2ccc(C#N)cc2)C1
InChIInChI=1S/C16H20N2O2/c1-2-8-16(15(19)20)9-3-10-18(12-16)14-6-4-13(11-17)5-7-14/h4-7H,2-3,8-10,12H2,1H3,(H,19,20)
InChIKeyYFJACZPKLFZMLW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.03
Rot. Bonds4

About 1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid

1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63136635) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63136635
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(c2ccc(C#N)cc2)C1
InChIInChI=1S/C16H20N2O2/c1-2-8-16(15(19)20)9-3-10-18(12-16)14-6-4-13(11-17)5-7-14/h4-7H,2-3,8-10,12H2,1H3,(H,19,20)
InChIKeyYFJACZPKLFZMLW-UHFFFAOYSA-N
XLogP3.03
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165697
1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid
CID 63126259
1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid
CID 115487290
1-(4-cyano-2-fluorophenyl)-3-propylpiperidine-3-carboxylic acid
CID 63136495
1-(2-cyano-4-fluorophenyl)-3-propylpiperidine-3-carboxylic acid
CID 63674101
1-(3-cyano-6-methyl-2-pyridinyl)-3-propylpiperidine-3-carboxylic acid
CID 63136445
1-(6-cyano-3-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 113320480
3-ethyl-1-(4-nitrophenyl)piperidine-3-carboxylic acid
CID 63136304
1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136354
1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136435
4-(5-azaspiro[2.5]octan-5-yl)benzonitrile
CID 133480870
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 65209141

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid (CID 63136635) is 1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(c2ccc(C#N)cc2)C1.
What is the InChIKey of 1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is YFJACZPKLFZMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-8-16(15(19)20)9-3-10-18(12-16)14-6-4-13(11-17)5-7-14/h4-7H,2-3,8-10,12H2,1H3,(H,19,20).
What are the key properties of 1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid?
1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).