2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol

C15H25NO — CID 123582813

IUPAC2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol
SMILESCC1=CC(C2CCN(CCO)CC2)=CCCC1
InChIInChI=1S/C15H25NO/c1-13-4-2-3-5-15(12-13)14-6-8-16(9-7-14)10-11-17/h5,12,14,17H,2-4,6-11H2,1H3
InChIKeyOWZHTUTZENGFLO-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds3

About 2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol

2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol (PubChem CID 123582813) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol
PubChem CID123582813
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol
SMILESCC1=CC(C2CCN(CCO)CC2)=CCCC1
InChIInChI=1S/C15H25NO/c1-13-4-2-3-5-15(12-13)14-6-8-16(9-7-14)10-11-17/h5,12,14,17H,2-4,6-11H2,1H3
InChIKeyOWZHTUTZENGFLO-UHFFFAOYSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-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-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol (CID 123582813) is 2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol is CC1=CC(C2CCN(CCO)CC2)=CCCC1.
What is the InChIKey of 2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol?
The InChIKey is OWZHTUTZENGFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-13-4-2-3-5-15(12-13)14-6-8-16(9-7-14)10-11-17/h5,12,14,17H,2-4,6-11H2,1H3.
What are the key properties of 2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol?
2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol has a molecular weight of 235.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methylcyclohepta-1,6-dien-1-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 123582813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).