2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile

C15H27N3O — CID 63339441

IUPAC2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C15H27N3O/c1-2-5-14(12-16)18-9-7-17(8-10-18)13-15-6-3-4-11-19-15/h14-15H,2-11,13H2,1H3
InChIKeyIQWLFMFSTHCNPG-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.87
Rot. Bonds5

About 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile

2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile (PubChem CID 63339441) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile
PubChem CID63339441
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C15H27N3O/c1-2-5-14(12-16)18-9-7-17(8-10-18)13-15-6-3-4-11-19-15/h14-15H,2-11,13H2,1H3
InChIKeyIQWLFMFSTHCNPG-UHFFFAOYSA-N
XLogP1.87
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile
CID 79165345
(2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol
CID 95309204
4-(oxan-2-ylmethyl)morpholine-2-carbonitrile
CID 112734106
1-(2-methoxyethyl)-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 94532596
1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine
CID 94532597
1-(2-chloroethyl)-4-(oxan-2-ylmethyl)-1,4-diazepane
CID 63387807
2-[4-(oxan-4-ylmethyl)piperazin-1-yl]butanenitrile
CID 63339955
2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile
CID 83156288
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 55091476
1-(oxan-2-ylmethyl)piperazine
CID 14981447
2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile
CID 55201972
(2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol
CID 124780455

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile (CID 63339441) is 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(CC2CCCCO2)CC1.
What is the InChIKey of 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile?
The InChIKey is IQWLFMFSTHCNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-2-5-14(12-16)18-9-7-17(8-10-18)13-15-6-3-4-11-19-15/h14-15H,2-11,13H2,1H3.
What are the key properties of 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile?
2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile has a molecular weight of 265.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 63339441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).