4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol

C14H20FNO — CID 143672664

IUPAC4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol
SMILESC=CCN1CCC(O)(C2C=CC(F)=CC2)CC1
InChIInChI=1S/C14H20FNO/c1-2-9-16-10-7-14(17,8-11-16)12-3-5-13(15)6-4-12/h2-3,5-6,12,17H,1,4,7-11H2
InChIKeyJZOXEISZIDCBKQ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.43
Rot. Bonds3

About 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol

4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol (PubChem CID 143672664) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol
PubChem CID143672664
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol
SMILESC=CCN1CCC(O)(C2C=CC(F)=CC2)CC1
InChIInChI=1S/C14H20FNO/c1-2-9-16-10-7-14(17,8-11-16)12-3-5-13(15)6-4-12/h2-3,5-6,12,17H,1,4,7-11H2
InChIKeyJZOXEISZIDCBKQ-UHFFFAOYSA-N
XLogP2.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-Difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-iodopiperidin-4-ol
CID 130254726
4-(4-Fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol
CID 142097572
1-Methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol
CID 142975115
4-(3-Fluoro-4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 143088787
1-(Cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol
CID 75509404
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 97838869
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 97838870
(3S,5R)-4-cyclohexa-2,4-dien-1-yl-3,5-dimethylpiperidin-4-ol
CID 68311904
4-Cyclohexa-2,4-dien-1-ylpiperidin-4-ol
CID 89109775
4-(4-Chlorocyclohexa-2,4-dien-1-yl)-1-sulfanylpiperidin-4-ol
CID 143576042
4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidin-4-ol
CID 144145006
4-(Cyclohexa-1,5-dien-1-ylmethyl)-1-methylpiperidin-4-ol
CID 144191921

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol?
The IUPAC name of 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol (CID 143672664) is 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol?
The canonical SMILES for 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol is C=CCN1CCC(O)(C2C=CC(F)=CC2)CC1.
What is the InChIKey of 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol?
The InChIKey is JZOXEISZIDCBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-9-16-10-7-14(17,8-11-16)12-3-5-13(15)6-4-12/h2-3,5-6,12,17H,1,4,7-11H2.
What are the key properties of 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol?
4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol has a molecular weight of 237.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 143672664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).