(2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile

C18H24N4O — CID 32526421

IUPAC(2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile
SMILESN#CCC[C@H](C#N)CN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C18H24N4O/c19-8-4-5-17(15-20)16-22-11-9-21(10-12-22)13-14-23-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,9-14,16H2/t17-/m1/s1
InChIKeyGGPMLUNKYNPHRR-QGZVFWFLSA-N
MW312.42 g/mol
LogP2.13
Rot. Bonds8

About (2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile

(2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile (PubChem CID 32526421) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile.

Molecular Properties

Compound Name(2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile
PubChem CID32526421
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile
SMILESN#CCC[C@H](C#N)CN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C18H24N4O/c19-8-4-5-17(15-20)16-22-11-9-21(10-12-22)13-14-23-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,9-14,16H2/t17-/m1/s1
InChIKeyGGPMLUNKYNPHRR-QGZVFWFLSA-N
XLogP2.13
TPSA63.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
4-[(2S)-2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]benzonitrile
CID 7874330
N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide
CID 78792864
1-[4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazin-1-yl]propan-2-ol
CID 4234342
(2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile
CID 32527833
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
1-(2-chloroethyl)-4-(2-phenoxyethyl)-1,4-diazepane
CID 63387533
2-[4-(3-phenoxypropyl)piperazin-1-yl]propanenitrile
CID 63339160
3-[4-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]piperazin-1-yl]propanenitrile
CID 54856256
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanenitrile;hydrochloride
CID 54584728
3-[4-[[4-(2-phenylethoxy)phenyl]methyl]piperazin-1-yl]propanenitrile
CID 54856483
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile?
The IUPAC name of (2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile (CID 32526421) is (2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile.
What is the SMILES notation for (2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile?
The canonical SMILES for (2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile is N#CCC[C@H](C#N)CN1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of (2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile?
The InChIKey is GGPMLUNKYNPHRR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4O/c19-8-4-5-17(15-20)16-22-11-9-21(10-12-22)13-14-23-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,9-14,16H2/t17-/m1/s1.
What are the key properties of (2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile?
(2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile has a molecular weight of 312.42 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile is sourced from PubChem (CID 32526421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).