2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile

C17H29N3 — CID 61441188

IUPAC2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C17H29N3/c1-2-3-14-4-5-15(13-18)17(12-14)20-10-8-19(9-11-20)16-6-7-16/h14-17H,2-12H2,1H3
InChIKeySWRZTYBQKHDLPT-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.87
Rot. Bonds4

About 2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile

2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile (PubChem CID 61441188) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
PubChem CID61441188
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C17H29N3/c1-2-3-14-4-5-15(13-18)17(12-14)20-10-8-19(9-11-20)16-6-7-16/h14-17H,2-12H2,1H3
InChIKeySWRZTYBQKHDLPT-UHFFFAOYSA-N
XLogP2.87
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
CID 43291506
2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile
CID 43291716
2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile
CID 43585983
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-propylcyclohexane-1-carbonitrile
CID 63151145
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-4-propylcyclohexane-1-carbonitrile
CID 107454997
4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 63514177
4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291498
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63150575
4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile
CID 62968579
2-hydroxy-4-propylcyclohexane-1-carbonitrile
CID 43292878
1-(2-cyano-5-propylcyclohexyl)-1,2,4-triazole-3-carbonitrile
CID 62951228
4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile
CID 63091654

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile (CID 61441188) is 2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(N2CCN(C3CC3)CC2)C1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile?
The InChIKey is SWRZTYBQKHDLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-3-14-4-5-15(13-18)17(12-14)20-10-8-19(9-11-20)16-6-7-16/h14-17H,2-12H2,1H3.
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile?
2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile has a molecular weight of 275.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 61441188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).