[1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C12H22N2O2 — CID 135165732

IUPAC[1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2(CO)CC2)CC1
InChIInChI=1S/C12H22N2O2/c1-10(2)13-5-7-14(8-6-13)11(16)12(9-15)3-4-12/h10,15H,3-9H2,1-2H3
InChIKeyLUQDZZKSPJFLNS-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.31
Rot. Bonds3

About [1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 135165732) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID135165732
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2(CO)CC2)CC1
InChIInChI=1S/C12H22N2O2/c1-10(2)13-5-7-14(8-6-13)11(16)12(9-15)3-4-12/h10,15H,3-9H2,1-2H3
InChIKeyLUQDZZKSPJFLNS-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

Analyze [1-(hydroxymethyl)cyclopropyl]-(4-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 [1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 135165732) is [1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2(CO)CC2)CC1.
What is the InChIKey of [1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is LUQDZZKSPJFLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(2)13-5-7-14(8-6-13)11(16)12(9-15)3-4-12/h10,15H,3-9H2,1-2H3.
What are the key properties of [1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-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 [1-(hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 135165732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).