2-(1-propylpiperazin-2-yl)propanenitrile

C10H19N3 — CID 173033600

IUPAC2-(1-propylpiperazin-2-yl)propanenitrile
SMILESCCCN1CCNCC1C(C)C#N
InChIInChI=1S/C10H19N3/c1-3-5-13-6-4-12-8-10(13)9(2)7-11/h9-10,12H,3-6,8H2,1-2H3
InChIKeyRTIIKHNTJIHAIQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.83
Rot. Bonds3

About 2-(1-propylpiperazin-2-yl)propanenitrile

2-(1-propylpiperazin-2-yl)propanenitrile (PubChem CID 173033600) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(1-propylpiperazin-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(1-propylpiperazin-2-yl)propanenitrile
PubChem CID173033600
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-(1-propylpiperazin-2-yl)propanenitrile
SMILESCCCN1CCNCC1C(C)C#N
InChIInChI=1S/C10H19N3/c1-3-5-13-6-4-12-8-10(13)9(2)7-11/h9-10,12H,3-6,8H2,1-2H3
InChIKeyRTIIKHNTJIHAIQ-UHFFFAOYSA-N
XLogP0.83
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pent-4-ynyl-2-propan-2-ylpiperazine
CID 106222019
1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327087
2-[2-(1-aminopropyl)piperazin-1-yl]ethanol
CID 174600260
2-[2-(1-chloropropyl)piperazin-1-yl]ethanol
CID 141484179
2-butan-2-yl-1-[(4-ethylphenyl)methyl]piperazine
CID 64844062
1-ethyl-2-pentan-3-ylpiperazine
CID 82669117
(2R)-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 94982854
1-(2-methylpropyl)piperazine-2-carbonitrile
CID 79085427
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64845837
3-(1-ethylpiperazin-2-yl)propanenitrile
CID 91226524
1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile
CID 79084934
1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile
CID 106933588

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpiperazin-2-yl)propanenitrile?
The IUPAC name of 2-(1-propylpiperazin-2-yl)propanenitrile (CID 173033600) is 2-(1-propylpiperazin-2-yl)propanenitrile.
What is the SMILES notation for 2-(1-propylpiperazin-2-yl)propanenitrile?
The canonical SMILES for 2-(1-propylpiperazin-2-yl)propanenitrile is CCCN1CCNCC1C(C)C#N.
What is the InChIKey of 2-(1-propylpiperazin-2-yl)propanenitrile?
The InChIKey is RTIIKHNTJIHAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-5-13-6-4-12-8-10(13)9(2)7-11/h9-10,12H,3-6,8H2,1-2H3.
What are the key properties of 2-(1-propylpiperazin-2-yl)propanenitrile?
2-(1-propylpiperazin-2-yl)propanenitrile has a molecular weight of 181.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpiperazin-2-yl)propanenitrile is sourced from PubChem (CID 173033600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).