4-anilino-1-butylpiperidine-4-carbonitrile

C16H23N3 — CID 653185

IUPAC4-anilino-1-butylpiperidine-4-carbonitrile
SMILESCCCCN1CCC(C#N)(Nc2ccccc2)CC1
InChIInChI=1S/C16H23N3/c1-2-3-11-19-12-9-16(14-17,10-13-19)18-15-7-5-4-6-8-15/h4-8,18H,2-3,9-13H2,1H3
InChIKeyUATXYMQIUKCAHT-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.26
Rot. Bonds5

About 4-anilino-1-butylpiperidine-4-carbonitrile

4-anilino-1-butylpiperidine-4-carbonitrile (PubChem CID 653185) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-anilino-1-butylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-anilino-1-butylpiperidine-4-carbonitrile
PubChem CID653185
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-anilino-1-butylpiperidine-4-carbonitrile
SMILESCCCCN1CCC(C#N)(Nc2ccccc2)CC1
InChIInChI=1S/C16H23N3/c1-2-3-11-19-12-9-16(14-17,10-13-19)18-15-7-5-4-6-8-15/h4-8,18H,2-3,9-13H2,1H3
InChIKeyUATXYMQIUKCAHT-UHFFFAOYSA-N
XLogP3.26
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-butylpiperidine-4-carbonitrile?
The IUPAC name of 4-anilino-1-butylpiperidine-4-carbonitrile (CID 653185) is 4-anilino-1-butylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-anilino-1-butylpiperidine-4-carbonitrile?
The canonical SMILES for 4-anilino-1-butylpiperidine-4-carbonitrile is CCCCN1CCC(C#N)(Nc2ccccc2)CC1.
What is the InChIKey of 4-anilino-1-butylpiperidine-4-carbonitrile?
The InChIKey is UATXYMQIUKCAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-3-11-19-12-9-16(14-17,10-13-19)18-15-7-5-4-6-8-15/h4-8,18H,2-3,9-13H2,1H3.
What are the key properties of 4-anilino-1-butylpiperidine-4-carbonitrile?
4-anilino-1-butylpiperidine-4-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-butylpiperidine-4-carbonitrile is sourced from PubChem (CID 653185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).