[(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol

C13H21NO — CID 70634236

IUPAC[(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol
SMILESC[C@]1(C(O)C2CCNCC2)C=CC=CC1
InChIInChI=1S/C13H21NO/c1-13(7-3-2-4-8-13)12(15)11-5-9-14-10-6-11/h2-4,7,11-12,14-15H,5-6,8-10H2,1H3/t12?,13-/m0/s1
InChIKeyRUAVCHDTAZVKKQ-ABLWVSNPSA-N
MW207.32 g/mol
LogP1.87
Rot. Bonds2

About [(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol

[(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol (PubChem CID 70634236) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol.

Molecular Properties

Compound Name[(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol
PubChem CID70634236
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol
SMILESC[C@]1(C(O)C2CCNCC2)C=CC=CC1
InChIInChI=1S/C13H21NO/c1-13(7-3-2-4-8-13)12(15)11-5-9-14-10-6-11/h2-4,7,11-12,14-15H,5-6,8-10H2,1H3/t12?,13-/m0/s1
InChIKeyRUAVCHDTAZVKKQ-ABLWVSNPSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol 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 [(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol?
The IUPAC name of [(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol (CID 70634236) is [(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol.
What is the SMILES notation for [(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol?
The canonical SMILES for [(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol is C[C@]1(C(O)C2CCNCC2)C=CC=CC1.
What is the InChIKey of [(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol?
The InChIKey is RUAVCHDTAZVKKQ-ABLWVSNPSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(7-3-2-4-8-13)12(15)11-5-9-14-10-6-11/h2-4,7,11-12,14-15H,5-6,8-10H2,1H3/t12?,13-/m0/s1.
What are the key properties of [(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol?
[(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol has a molecular weight of 207.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol is sourced from PubChem (CID 70634236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).