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

C14H24N2O2 — CID 55178738

IUPAC1-(4-cyanobutyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCCCC#N)CC1
InChIInChI=1S/C14H24N2O2/c1-2-6-14(13(17)18)7-11-16(12-8-14)10-5-3-4-9-15/h2-8,10-12H2,1H3,(H,17,18)
InChIKeyOLAFKZRDJGRWAH-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.65
Rot. Bonds7

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

1-(4-cyanobutyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 55178738) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(4-cyanobutyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyanobutyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID55178738
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(4-cyanobutyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCCCC#N)CC1
InChIInChI=1S/C14H24N2O2/c1-2-6-14(13(17)18)7-11-16(12-8-14)10-5-3-4-9-15/h2-8,10-12H2,1H3,(H,17,18)
InChIKeyOLAFKZRDJGRWAH-UHFFFAOYSA-N
XLogP2.65
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanobutyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-cyanobutyl)-4-propylpiperidine-4-carboxylic acid (CID 55178738) is 1-(4-cyanobutyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-cyanobutyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-cyanobutyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(CCCCC#N)CC1.
What is the InChIKey of 1-(4-cyanobutyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is OLAFKZRDJGRWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-6-14(13(17)18)7-11-16(12-8-14)10-5-3-4-9-15/h2-8,10-12H2,1H3,(H,17,18).
What are the key properties of 1-(4-cyanobutyl)-4-propylpiperidine-4-carboxylic acid?
1-(4-cyanobutyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 252.36 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanobutyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 55178738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).