4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile

C17H25N3 — CID 68970064

IUPAC4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile
SMILESCCN(CCCN1CCCCC1)c1ccc(C#N)cc1
InChIInChI=1S/C17H25N3/c1-2-20(17-9-7-16(15-18)8-10-17)14-6-13-19-11-4-3-5-12-19/h7-10H,2-6,11-14H2,1H3
InChIKeyDHQSKHOLUOJDRL-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.26
Rot. Bonds6

About 4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile

4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile (PubChem CID 68970064) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile
PubChem CID68970064
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile
SMILESCCN(CCCN1CCCCC1)c1ccc(C#N)cc1
InChIInChI=1S/C17H25N3/c1-2-20(17-9-7-16(15-18)8-10-17)14-6-13-19-11-4-3-5-12-19/h7-10H,2-6,11-14H2,1H3
InChIKeyDHQSKHOLUOJDRL-UHFFFAOYSA-N
XLogP3.26
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile?
The IUPAC name of 4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile (CID 68970064) is 4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile.
What is the SMILES notation for 4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile?
The canonical SMILES for 4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile is CCN(CCCN1CCCCC1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile?
The InChIKey is DHQSKHOLUOJDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-20(17-9-7-16(15-18)8-10-17)14-6-13-19-11-4-3-5-12-19/h7-10H,2-6,11-14H2,1H3.
What are the key properties of 4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile?
4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile has a molecular weight of 271.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile is sourced from PubChem (CID 68970064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).