2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile

C15H27N3O — CID 65211110

IUPAC2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(CC2(O)CCCC2)CC1
InChIInChI=1S/C15H27N3O/c1-2-5-14(12-16)18-10-8-17(9-11-18)13-15(19)6-3-4-7-15/h14,19H,2-11,13H2,1H3
InChIKeyLPPHNOHSBBROAH-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.60
Rot. Bonds5

About 2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile

2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile (PubChem CID 65211110) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile
PubChem CID65211110
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(CC2(O)CCCC2)CC1
InChIInChI=1S/C15H27N3O/c1-2-5-14(12-16)18-10-8-17(9-11-18)13-15(19)6-3-4-7-15/h14,19H,2-11,13H2,1H3
InChIKeyLPPHNOHSBBROAH-UHFFFAOYSA-N
XLogP1.60
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile
CID 65213503
1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 65208031
2-(4-hexylpiperazin-1-yl)pentanenitrile
CID 63339849
1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol
CID 131701690
1-[(4-ethylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 60723383
2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile
CID 83156288
2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]pentanenitrile
CID 63339635
3-[4-(1-cyanobutyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
CID 79623377
3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide
CID 63340023
2-[4-(1-cyanobutyl)piperazin-1-yl]pentanoic acid
CID 83041979
1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 113362979
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile
CID 63339768

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile (CID 65211110) is 2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(CC2(O)CCCC2)CC1.
What is the InChIKey of 2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile?
The InChIKey is LPPHNOHSBBROAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-2-5-14(12-16)18-10-8-17(9-11-18)13-15(19)6-3-4-7-15/h14,19H,2-11,13H2,1H3.
What are the key properties of 2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile?
2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile has a molecular weight of 265.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 65211110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).