cyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C12H22N2O2 — CID 43416225

IUPACcyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(CCO)CC1
InChIInChI=1S/C12H22N2O2/c15-10-9-13-5-7-14(8-6-13)12(16)11-3-1-2-4-11/h11,15H,1-10H2
InChIKeyURUXKGVSXZHABE-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.31
Rot. Bonds3

About cyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

cyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 43416225) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is cyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID43416225
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namecyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(CCO)CC1
InChIInChI=1S/C12H22N2O2/c15-10-9-13-5-7-14(8-6-13)12(16)11-3-1-2-4-11/h11,15H,1-10H2
InChIKeyURUXKGVSXZHABE-UHFFFAOYSA-N
XLogP0.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 43416225) is cyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(C1CCCC1)N1CCN(CCO)CC1.
What is the InChIKey of cyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is URUXKGVSXZHABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-10-9-13-5-7-14(8-6-13)12(16)11-3-1-2-4-11/h11,15H,1-10H2.
What are the key properties of cyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
cyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 43416225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).