3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile

C14H17Cl2N3 — CID 84752010

IUPAC3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile
SMILESCC(C#N)(Cc1cccc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C14H17Cl2N3/c1-14(10-17,19-7-5-18-6-8-19)9-11-3-2-4-12(15)13(11)16/h2-4,18H,5-9H2,1H3
InChIKeyYDQKTGJNLJWCSZ-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.72
Rot. Bonds3

About 3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile

3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile (PubChem CID 84752010) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile
PubChem CID84752010
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile
SMILESCC(C#N)(Cc1cccc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C14H17Cl2N3/c1-14(10-17,19-7-5-18-6-8-19)9-11-3-2-4-12(15)13(11)16/h2-4,18H,5-9H2,1H3
InChIKeyYDQKTGJNLJWCSZ-UHFFFAOYSA-N
XLogP2.72
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile
CID 84751999
2-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)-2-methylpropanenitrile
CID 61005584
2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile
CID 84751985
1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747889
2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol
CID 114079755
2-(azepan-1-yl)-3-(2-fluorophenyl)-2-methylpropanenitrile
CID 84751667
2-methyl-2-piperazin-1-ylheptanenitrile
CID 80557403
3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile
CID 84750326
3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile
CID 84751976
3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol
CID 112743445
1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol
CID 107307645
2-(azepan-1-yl)-2-methyl-3-(1H-pyrrol-2-yl)propanenitrile
CID 84751682

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile?
The IUPAC name of 3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile (CID 84752010) is 3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile?
The canonical SMILES for 3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile is CC(C#N)(Cc1cccc(Cl)c1Cl)N1CCNCC1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile?
The InChIKey is YDQKTGJNLJWCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-14(10-17,19-7-5-18-6-8-19)9-11-3-2-4-12(15)13(11)16/h2-4,18H,5-9H2,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile?
3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile has a molecular weight of 298.22 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile is sourced from PubChem (CID 84752010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).