3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile

C11H21N3 — CID 63608814

IUPAC3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
SMILESCCC1CN(C(C)CC#N)CCN1C
InChIInChI=1S/C11H21N3/c1-4-11-9-14(8-7-13(11)3)10(2)5-6-12/h10-11H,4-5,7-9H2,1-3H3
InChIKeyZQHABUSLZHRLAS-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.31
Rot. Bonds3

About 3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile

3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile (PubChem CID 63608814) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
PubChem CID63608814
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
SMILESCCC1CN(C(C)CC#N)CCN1C
InChIInChI=1S/C11H21N3/c1-4-11-9-14(8-7-13(11)3)10(2)5-6-12/h10-11H,4-5,7-9H2,1-3H3
InChIKeyZQHABUSLZHRLAS-UHFFFAOYSA-N
XLogP1.31
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile?
The IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile (CID 63608814) is 3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile is CCC1CN(C(C)CC#N)CCN1C.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile?
The InChIKey is ZQHABUSLZHRLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-11-9-14(8-7-13(11)3)10(2)5-6-12/h10-11H,4-5,7-9H2,1-3H3.
What are the key properties of 3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile?
3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile is sourced from PubChem (CID 63608814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).