2,3-dimethyl-2-piperazin-1-ylpentanenitrile

C11H21N3 — CID 60915963

IUPAC2,3-dimethyl-2-piperazin-1-ylpentanenitrile
SMILESCCC(C)C(C)(C#N)N1CCNCC1
InChIInChI=1S/C11H21N3/c1-4-10(2)11(3,9-12)14-7-5-13-6-8-14/h10,13H,4-8H2,1-3H3
InChIKeyDPORJBDCCHGIIA-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.22
Rot. Bonds3

About 2,3-dimethyl-2-piperazin-1-ylpentanenitrile

2,3-dimethyl-2-piperazin-1-ylpentanenitrile (PubChem CID 60915963) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,3-dimethyl-2-piperazin-1-ylpentanenitrile.

Molecular Properties

Compound Name2,3-dimethyl-2-piperazin-1-ylpentanenitrile
PubChem CID60915963
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2,3-dimethyl-2-piperazin-1-ylpentanenitrile
SMILESCCC(C)C(C)(C#N)N1CCNCC1
InChIInChI=1S/C11H21N3/c1-4-10(2)11(3,9-12)14-7-5-13-6-8-14/h10,13H,4-8H2,1-3H3
InChIKeyDPORJBDCCHGIIA-UHFFFAOYSA-N
XLogP1.22
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
CID 80551253
2-methyl-2-piperazin-1-ylheptanenitrile
CID 80557403
1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine
CID 174010390
2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile
CID 57087393
2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile
CID 84751985
N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548261
2-(1,4-diazepan-1-yl)-2-methyloctanenitrile
CID 54889153
2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile
CID 87219789
1-(2,6-dimethylheptan-2-yl)piperazine
CID 116931981
2-(4-methoxyphenyl)-2-piperazin-1-ylbutanenitrile
CID 18070890
(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid
CID 80548885
1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80547764

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-piperazin-1-ylpentanenitrile?
The IUPAC name of 2,3-dimethyl-2-piperazin-1-ylpentanenitrile (CID 60915963) is 2,3-dimethyl-2-piperazin-1-ylpentanenitrile.
What is the SMILES notation for 2,3-dimethyl-2-piperazin-1-ylpentanenitrile?
The canonical SMILES for 2,3-dimethyl-2-piperazin-1-ylpentanenitrile is CCC(C)C(C)(C#N)N1CCNCC1.
What is the InChIKey of 2,3-dimethyl-2-piperazin-1-ylpentanenitrile?
The InChIKey is DPORJBDCCHGIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-10(2)11(3,9-12)14-7-5-13-6-8-14/h10,13H,4-8H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-piperazin-1-ylpentanenitrile?
2,3-dimethyl-2-piperazin-1-ylpentanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-piperazin-1-ylpentanenitrile is sourced from PubChem (CID 60915963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).