2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol

C13H21NO — CID 173070928

IUPAC2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol
SMILESOCCN1CCC(C2=CCCC=C2)CC1
InChIInChI=1S/C13H21NO/c15-11-10-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h2,4-5,13,15H,1,3,6-11H2
InChIKeyHMZANFBQUZFERB-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.97
Rot. Bonds3

About 2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol

2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol (PubChem CID 173070928) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol
PubChem CID173070928
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol
SMILESOCCN1CCC(C2=CCCC=C2)CC1
InChIInChI=1S/C13H21NO/c15-11-10-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h2,4-5,13,15H,1,3,6-11H2
InChIKeyHMZANFBQUZFERB-UHFFFAOYSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol 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 2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol?
The IUPAC name of 2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol (CID 173070928) is 2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol.
What is the SMILES notation for 2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol?
The canonical SMILES for 2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol is OCCN1CCC(C2=CCCC=C2)CC1.
What is the InChIKey of 2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol?
The InChIKey is HMZANFBQUZFERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-11-10-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h2,4-5,13,15H,1,3,6-11H2.
What are the key properties of 2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol?
2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol has a molecular weight of 207.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-1,5-dien-1-ylpiperidin-1-yl)ethanol is sourced from PubChem (CID 173070928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).