2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile

C12H21N3O — CID 43592079

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1N1CCN(CCO)CC1
InChIInChI=1S/C12H21N3O/c13-10-11-2-1-3-12(11)15-6-4-14(5-7-15)8-9-16/h11-12,16H,1-9H2
InChIKeyMGLPQENSCHEYEU-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.29
Rot. Bonds3

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile

2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile (PubChem CID 43592079) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile
PubChem CID43592079
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1N1CCN(CCO)CC1
InChIInChI=1S/C12H21N3O/c13-10-11-2-1-3-12(11)15-6-4-14(5-7-15)8-9-16/h11-12,16H,1-9H2
InChIKeyMGLPQENSCHEYEU-UHFFFAOYSA-N
XLogP0.29
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile (CID 43592079) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile is N#CC1CCCC1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
The InChIKey is MGLPQENSCHEYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-10-11-2-1-3-12(11)15-6-4-14(5-7-15)8-9-16/h11-12,16H,1-9H2.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile has a molecular weight of 223.32 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 43592079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).