cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone

C12H22N2O2 — CID 82242481

IUPACcyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone
SMILESCC(C)C1CN(C(=O)C2CC2)C(CO)CN1
InChIInChI=1S/C12H22N2O2/c1-8(2)11-6-14(10(7-15)5-13-11)12(16)9-3-4-9/h8-11,13,15H,3-7H2,1-2H3
InChIKeyWNASQMBBXIWQIS-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.21
Rot. Bonds3

About cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone

cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone (PubChem CID 82242481) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone
PubChem CID82242481
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namecyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone
SMILESCC(C)C1CN(C(=O)C2CC2)C(CO)CN1
InChIInChI=1S/C12H22N2O2/c1-8(2)11-6-14(10(7-15)5-13-11)12(16)9-3-4-9/h8-11,13,15H,3-7H2,1-2H3
InChIKeyWNASQMBBXIWQIS-UHFFFAOYSA-N
XLogP0.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone (CID 82242481) is cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone is CC(C)C1CN(C(=O)C2CC2)C(CO)CN1.
What is the InChIKey of cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone?
The InChIKey is WNASQMBBXIWQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(2)11-6-14(10(7-15)5-13-11)12(16)9-3-4-9/h8-11,13,15H,3-7H2,1-2H3.
What are the key properties of cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone?
cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 82242481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).