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

C16H20N2O2 — CID 63126259

IUPAC1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H20N2O2/c1-2-7-16(15(19)20)8-10-18(11-9-16)14-5-3-13(12-17)4-6-14/h3-6H,2,7-11H2,1H3,(H,19,20)
InChIKeyLAOZXHHRRNAYFJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.03
Rot. Bonds4

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

1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63126259) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63126259
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H20N2O2/c1-2-7-16(15(19)20)8-10-18(11-9-16)14-5-3-13(12-17)4-6-14/h3-6H,2,7-11H2,1H3,(H,19,20)
InChIKeyLAOZXHHRRNAYFJ-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid (CID 63126259) is 1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is LAOZXHHRRNAYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-7-16(15(19)20)8-10-18(11-9-16)14-5-3-13(12-17)4-6-14/h3-6H,2,7-11H2,1H3,(H,19,20).
What are the key properties of 1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid?
1-(4-cyanophenyl)-4-propylpiperidine-4-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)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).