3-(4-cyclopropylpiperazin-1-yl)butanenitrile

C11H19N3 — CID 61441190

IUPAC3-(4-cyclopropylpiperazin-1-yl)butanenitrile
SMILESCC(CC#N)N1CCN(C2CC2)CC1
InChIInChI=1S/C11H19N3/c1-10(4-5-12)13-6-8-14(9-7-13)11-2-3-11/h10-11H,2-4,6-9H2,1H3
InChIKeyQNPGJDFBRHMLJI-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.07
Rot. Bonds3

About 3-(4-cyclopropylpiperazin-1-yl)butanenitrile

3-(4-cyclopropylpiperazin-1-yl)butanenitrile (PubChem CID 61441190) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazin-1-yl)butanenitrile.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazin-1-yl)butanenitrile
PubChem CID61441190
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-(4-cyclopropylpiperazin-1-yl)butanenitrile
SMILESCC(CC#N)N1CCN(C2CC2)CC1
InChIInChI=1S/C11H19N3/c1-10(4-5-12)13-6-8-14(9-7-13)11-2-3-11/h10-11H,2-4,6-9H2,1H3
InChIKeyQNPGJDFBRHMLJI-UHFFFAOYSA-N
XLogP1.07
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-butan-2-ylpiperazin-1-yl)butanenitrile
CID 62773827
3-pyrrolidin-1-ylbutanenitrile
CID 46318245
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butanenitrile
CID 62111995
3-(4-ethylpiperidin-1-yl)butanenitrile
CID 61361415
3-(azocan-1-yl)butanenitrile
CID 60913131
4-(4-cyclopropylpiperazin-1-yl)pentan-2-amine
CID 64706994
3-(6-azaspiro[2.5]octan-6-yl)butanenitrile
CID 126990250
3-[4-(hydroxymethyl)piperidin-1-yl]butanenitrile
CID 60913650
3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile
CID 66196757
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine
CID 62411356
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)butanenitrile?
The IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)butanenitrile (CID 61441190) is 3-(4-cyclopropylpiperazin-1-yl)butanenitrile.
What is the SMILES notation for 3-(4-cyclopropylpiperazin-1-yl)butanenitrile?
The canonical SMILES for 3-(4-cyclopropylpiperazin-1-yl)butanenitrile is CC(CC#N)N1CCN(C2CC2)CC1.
What is the InChIKey of 3-(4-cyclopropylpiperazin-1-yl)butanenitrile?
The InChIKey is QNPGJDFBRHMLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10(4-5-12)13-6-8-14(9-7-13)11-2-3-11/h10-11H,2-4,6-9H2,1H3.
What are the key properties of 3-(4-cyclopropylpiperazin-1-yl)butanenitrile?
3-(4-cyclopropylpiperazin-1-yl)butanenitrile has a molecular weight of 193.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylpiperazin-1-yl)butanenitrile is sourced from PubChem (CID 61441190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).