[(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

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Related Compounds

(2S,3S,4R)-2-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3-methylpiperidin-4-ol
CID 101887637
4-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3,3-dimethylbutan-1-ol
CID 97240121
[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 142015032
1,2,3,4,4a,5,6,7-Octahydroisoquinolin-5-ol
CID 54385647
4-(Aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol
CID 71005542
[4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol
CID 89182468
4-Hexa-1,3,5-trien-3-ylpiperidin-3-ol
CID 123244966
4,8-Dimethyl-3-prop-1-enyl-8-azaspiro[4.5]dec-3-en-1-ol
CID 123981427
1-(4-Cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol
CID 134375505
ethane;(3S,4S)-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperidin-3-ol
CID 141884083
(3S,4S)-4-cyclohepta-1,3,5-trien-1-ylpiperidin-3-ol;ethane
CID 141943944
ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 142015031

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).