4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol

C12H18FNO — CID 143088792

IUPAC4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
SMILESCC1=CC(F)=CC(C2(O)CCNCC2)C1
InChIInChI=1S/C12H18FNO/c1-9-6-10(8-11(13)7-9)12(15)2-4-14-5-3-12/h7-8,10,14-15H,2-6H2,1H3
InChIKeyJIKJCCVQJJCOAI-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.92
Rot. Bonds1

About 4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol

4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol (PubChem CID 143088792) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
PubChem CID143088792
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
SMILESCC1=CC(F)=CC(C2(O)CCNCC2)C1
InChIInChI=1S/C12H18FNO/c1-9-6-10(8-11(13)7-9)12(15)2-4-14-5-3-12/h7-8,10,14-15H,2-6H2,1H3
InChIKeyJIKJCCVQJJCOAI-UHFFFAOYSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-Fluorocyclohexa-1,5-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol
CID 70875323
4-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol
CID 70875343
4-(3-Fluoro-4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 143088787
2-(5-Fluoro-1-piperidin-4-ylcyclohexa-2,4-dien-1-yl)propan-2-ol
CID 149781848
(3S,5R)-4-cyclohexa-2,4-dien-1-yl-3,5-dimethylpiperidin-4-ol
CID 68311904
4-(4-Methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 89025215
4-Cyclohexa-2,4-dien-1-ylpiperidin-4-ol
CID 89109775
4-(Cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol
CID 123461502
ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylpiperidin-4-ol
CID 141861829
4-Cyclohexa-1,3-dien-1-ylpiperidin-4-ol
CID 143193857
(8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol
CID 143215332
4-[(2Z)-2-propa-1,2-dienylpenta-2,4-dienyl]piperidin-4-ol
CID 143443361

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol?
The IUPAC name of 4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol (CID 143088792) is 4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol.
What is the SMILES notation for 4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol?
The canonical SMILES for 4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol is CC1=CC(F)=CC(C2(O)CCNCC2)C1.
What is the InChIKey of 4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol?
The InChIKey is JIKJCCVQJJCOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-6-10(8-11(13)7-9)12(15)2-4-14-5-3-12/h7-8,10,14-15H,2-6H2,1H3.
What are the key properties of 4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol?
4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol has a molecular weight of 211.28 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol is sourced from PubChem (CID 143088792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).