2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile

C17H25N3O — CID 63339768

IUPAC2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c1-2-6-16(13-18)20-11-9-19(10-12-20)14-17(21)15-7-4-3-5-8-15/h3-5,7-8,16-17,21H,2,6,9-12,14H2,1H3
InChIKeyMDNPNSIBFLXTQX-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.03
Rot. Bonds6

About 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile

2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile (PubChem CID 63339768) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile
PubChem CID63339768
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c1-2-6-16(13-18)20-11-9-19(10-12-20)14-17(21)15-7-4-3-5-8-15/h3-5,7-8,16-17,21H,2,6,9-12,14H2,1H3
InChIKeyMDNPNSIBFLXTQX-UHFFFAOYSA-N
XLogP2.03
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol
CID 111799260
2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145394980
1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile
CID 48940005
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 28746869
N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide
CID 95308677
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
3-[4-(1-cyanobutyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
CID 79623377
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile (CID 63339768) is 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile?
The InChIKey is MDNPNSIBFLXTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-6-16(13-18)20-11-9-19(10-12-20)14-17(21)15-7-4-3-5-8-15/h3-5,7-8,16-17,21H,2,6,9-12,14H2,1H3.
What are the key properties of 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile?
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile has a molecular weight of 287.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 63339768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).