1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile

C10H19N3 — CID 126991367

IUPAC1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile
SMILESCC(C)CN1CCN(C)C(C#N)C1
InChIInChI=1S/C10H19N3/c1-9(2)7-13-5-4-12(3)10(6-11)8-13/h9-10H,4-5,7-8H2,1-3H3
InChIKeyMGRGFMCVVZVIMQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.78
Rot. Bonds2

About 1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile

1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile (PubChem CID 126991367) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile
PubChem CID126991367
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile
SMILESCC(C)CN1CCN(C)C(C#N)C1
InChIInChI=1S/C10H19N3/c1-9(2)7-13-5-4-12(3)10(6-11)8-13/h9-10H,4-5,7-8H2,1-3H3
InChIKeyMGRGFMCVVZVIMQ-UHFFFAOYSA-N
XLogP0.78
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile
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(2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile
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1,4-dimethyl-1,4-diazepane-2-carbonitrile
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1-methyl-4-(2-methylpropyl)piperazine
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1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
1-(2-methylpropyl)piperazine-2-carbonitrile
CID 79085427
(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
CID 103934656
1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
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(2S,6S)-1,2,6-trimethyl-4-(2-methylpropyl)piperazine
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1-but-2-ynyl-4-(2-methylpropyl)piperazine
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile?
The IUPAC name of 1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile (CID 126991367) is 1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile is CC(C)CN1CCN(C)C(C#N)C1.
What is the InChIKey of 1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile?
The InChIKey is MGRGFMCVVZVIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(2)7-13-5-4-12(3)10(6-11)8-13/h9-10H,4-5,7-8H2,1-3H3.
What are the key properties of 1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile?
1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile has a molecular weight of 181.28 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile is sourced from PubChem (CID 126991367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).