2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile

C13H23N3 — CID 65495085

IUPAC2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESCCC1CN(CC2(CC#N)CC2)CCN1C
InChIInChI=1S/C13H23N3/c1-3-12-10-16(9-8-15(12)2)11-13(4-5-13)6-7-14/h12H,3-6,8-11H2,1-2H3
InChIKeySUESDAMGCYFWNI-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.71
Rot. Bonds4

About 2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 65495085) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID65495085
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESCCC1CN(CC2(CC#N)CC2)CCN1C
InChIInChI=1S/C13H23N3/c1-3-12-10-16(9-8-15(12)2)11-13(4-5-13)6-7-14/h12H,3-6,8-11H2,1-2H3
InChIKeySUESDAMGCYFWNI-UHFFFAOYSA-N
XLogP1.71
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile (CID 65495085) is 2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile is CCC1CN(CC2(CC#N)CC2)CCN1C.
What is the InChIKey of 2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is SUESDAMGCYFWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-12-10-16(9-8-15(12)2)11-13(4-5-13)6-7-14/h12H,3-6,8-11H2,1-2H3.
What are the key properties of 2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 221.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65495085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).