3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile

C14H23N3 — CID 64624233

IUPAC3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile
SMILESN#CC1(N2CCNCC2)CCCC(C2CC2)C1
InChIInChI=1S/C14H23N3/c15-11-14(17-8-6-16-7-9-17)5-1-2-13(10-14)12-3-4-12/h12-13,16H,1-10H2
InChIKeyDGROROYKOPQVKV-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.75
Rot. Bonds2

About 3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile

3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile (PubChem CID 64624233) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile
PubChem CID64624233
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile
SMILESN#CC1(N2CCNCC2)CCCC(C2CC2)C1
InChIInChI=1S/C14H23N3/c15-11-14(17-8-6-16-7-9-17)5-1-2-13(10-14)12-3-4-12/h12-13,16H,1-10H2
InChIKeyDGROROYKOPQVKV-UHFFFAOYSA-N
XLogP1.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 64624261
1-(1,4-diazepan-1-yl)-3-methylcyclopentane-1-carbonitrile
CID 64516160
4-piperazin-1-yloxepane-4-carbonitrile
CID 65078898
3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 54886881
3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile
CID 80705616
CID 159323966
CID 159323966
10-cyclopropyl-3-azaspiro[5.5]undecane
CID 64623012
1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 64759069
methyl 3-cyclopropyl-1-(1,4-diazepan-1-yl)cyclohexane-1-carboxylate
CID 64625445
1-(1,4-diazepan-1-yl)-2,3-dimethylcyclohexane-1-carbonitrile
CID 64755953
4-piperazin-1-yl-1-propylsulfonylpiperidine-4-carbonitrile
CID 150651451
3-morpholin-4-ylpiperidine-3-carbonitrile
CID 79308459

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile?
The IUPAC name of 3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile (CID 64624233) is 3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile is N#CC1(N2CCNCC2)CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile?
The InChIKey is DGROROYKOPQVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c15-11-14(17-8-6-16-7-9-17)5-1-2-13(10-14)12-3-4-12/h12-13,16H,1-10H2.
What are the key properties of 3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile?
3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile has a molecular weight of 233.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-piperazin-1-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 64624233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).