4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile

C17H23N3 — CID 43747068

IUPAC4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile
SMILESCC(NC1CCN(C2CC2)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C17H23N3/c1-13(15-4-2-14(12-18)3-5-15)19-16-8-10-20(11-9-16)17-6-7-17/h2-5,13,16-17,19H,6-11H2,1H3
InChIKeyHGKTXVDKRIQGQD-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.84
Rot. Bonds4

About 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile

4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile (PubChem CID 43747068) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile
PubChem CID43747068
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile
SMILESCC(NC1CCN(C2CC2)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C17H23N3/c1-13(15-4-2-14(12-18)3-5-15)19-16-8-10-20(11-9-16)17-6-7-17/h2-5,13,16-17,19H,6-11H2,1H3
InChIKeyHGKTXVDKRIQGQD-UHFFFAOYSA-N
XLogP2.84
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine
CID 43791309
1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine
CID 43747046
4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile
CID 115906392
4-[1-[(4,4-dimethylcycloheptyl)amino]ethyl]benzonitrile
CID 65084191
1-cyclopropyl-N-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 81350444
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile
CID 43747011
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 43775849
4-[1-[(2-methylcyclohexyl)amino]ethyl]benzonitrile
CID 43194954
4-[1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethyl]benzonitrile
CID 75523914
4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile
CID 43692380
4-[1-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]benzonitrile
CID 66203853
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile (CID 43747068) is 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile is CC(NC1CCN(C2CC2)CC1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile?
The InChIKey is HGKTXVDKRIQGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(15-4-2-14(12-18)3-5-15)19-16-8-10-20(11-9-16)17-6-7-17/h2-5,13,16-17,19H,6-11H2,1H3.
What are the key properties of 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile?
4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile has a molecular weight of 269.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile is sourced from PubChem (CID 43747068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).