1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol

C13H25NO — CID 79044925

IUPAC1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol
SMILESCC(C)(C(O)CC1CC1)N1CCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,12(15)10-11-6-7-11)14-8-4-3-5-9-14/h11-12,15H,3-10H2,1-2H3
InChIKeyXWEAYSFYIGFYIV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.41
Rot. Bonds4

About 1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol

1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol (PubChem CID 79044925) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol
PubChem CID79044925
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol
SMILESCC(C)(C(O)CC1CC1)N1CCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,12(15)10-11-6-7-11)14-8-4-3-5-9-14/h11-12,15H,3-10H2,1-2H3
InChIKeyXWEAYSFYIGFYIV-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol 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-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol?
The IUPAC name of 1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol (CID 79044925) is 1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol.
What is the SMILES notation for 1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol?
The canonical SMILES for 1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol is CC(C)(C(O)CC1CC1)N1CCCCC1.
What is the InChIKey of 1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol?
The InChIKey is XWEAYSFYIGFYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,12(15)10-11-6-7-11)14-8-4-3-5-9-14/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol?
1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol is sourced from PubChem (CID 79044925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).