2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile

C15H27N3O — CID 65213503

IUPAC2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C15H27N3O/c1-2-14(12-16)18-10-8-17(9-11-18)13-15(19)6-4-3-5-7-15/h14,19H,2-11,13H2,1H3
InChIKeyHYCMRULYJJXQQY-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.60
Rot. Bonds4

About 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile

2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile (PubChem CID 65213503) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile
PubChem CID65213503
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C15H27N3O/c1-2-14(12-16)18-10-8-17(9-11-18)13-15(19)6-4-3-5-7-15/h14,19H,2-11,13H2,1H3
InChIKeyHYCMRULYJJXQQY-UHFFFAOYSA-N
XLogP1.60
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile
CID 65211110
1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 65208031
1-[(4-ethylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 60723383
2-[4-(1-methylcyclohexanecarbonyl)piperazin-1-yl]butanenitrile
CID 106827291
1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol
CID 131701690
1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 113362979
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile
CID 63339094
2-[4-(2,2-difluoroethyl)piperazin-1-yl]butanenitrile
CID 55219345
1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
2-(3-hydroxy-3-methylpyrrolidin-1-yl)butanenitrile
CID 105352576
2-(2-azaspiro[3.4]octan-2-yl)butanenitrile
CID 130643612
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide
CID 63339132

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile (CID 65213503) is 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile is CCC(C#N)N1CCN(CC2(O)CCCCC2)CC1.
What is the InChIKey of 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile?
The InChIKey is HYCMRULYJJXQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-2-14(12-16)18-10-8-17(9-11-18)13-15(19)6-4-3-5-7-15/h14,19H,2-11,13H2,1H3.
What are the key properties of 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile?
2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile has a molecular weight of 265.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile is sourced from PubChem (CID 65213503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).