3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol

C16H32N2O — CID 10308174

IUPAC3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
SMILESCCC(O)(C(C)CN1CCN(C)CC1)C1CCCC1
InChIInChI=1S/C16H32N2O/c1-4-16(19,15-7-5-6-8-15)14(2)13-18-11-9-17(3)10-12-18/h14-15,19H,4-13H2,1-3H3
InChIKeyBZVROJJUCOWWDW-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.20
Rot. Bonds5

About 3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol

3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol (PubChem CID 10308174) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol.

Molecular Properties

Compound Name3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
PubChem CID10308174
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
SMILESCCC(O)(C(C)CN1CCN(C)CC1)C1CCCC1
InChIInChI=1S/C16H32N2O/c1-4-16(19,15-7-5-6-8-15)14(2)13-18-11-9-17(3)10-12-18/h14-15,19H,4-13H2,1-3H3
InChIKeyBZVROJJUCOWWDW-UHFFFAOYSA-N
XLogP2.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-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 3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
The IUPAC name of 3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol (CID 10308174) is 3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol.
What is the SMILES notation for 3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
The canonical SMILES for 3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol is CCC(O)(C(C)CN1CCN(C)CC1)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
The InChIKey is BZVROJJUCOWWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-16(19,15-7-5-6-8-15)14(2)13-18-11-9-17(3)10-12-18/h14-15,19H,4-13H2,1-3H3.
What are the key properties of 3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol has a molecular weight of 268.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol is sourced from PubChem (CID 10308174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).