4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol

C13H18FNO — CID 142097572

IUPAC4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(C2C=CC=C(F)C=C2)CC1
InChIInChI=1S/C13H18FNO/c1-15-9-7-13(16,8-10-15)11-3-2-4-12(14)6-5-11/h2-6,11,16H,7-10H2,1H3
InChIKeyDVXMGIZEPOSDMQ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.04
Rot. Bonds1

About 4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol

4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol (PubChem CID 142097572) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol
PubChem CID142097572
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(C2C=CC=C(F)C=C2)CC1
InChIInChI=1S/C13H18FNO/c1-15-9-7-13(16,8-10-15)11-3-2-4-12(14)6-5-11/h2-6,11,16H,7-10H2,1H3
InChIKeyDVXMGIZEPOSDMQ-UHFFFAOYSA-N
XLogP2.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-Difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-iodopiperidin-4-ol
CID 130254726
4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 134365797
1-Methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol
CID 142975115
4-(4-Fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol
CID 143672664
1,3-Dimethyl-4-prop-2-enylpiperidin-4-ol
CID 4917707
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-(3,4-Dimethylcyclohexa-1,5-dien-1-yl)-1-methylpiperidin-4-ol
CID 141791942
4-Cyclohepta-1,3,4,6-tetraen-1-yl-1-methylpiperidin-4-ol
CID 141855149
ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol
CID 143049084
4-Cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane
CID 143804979
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-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol (CID 142097572) is 4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol is CN1CCC(O)(C2C=CC=C(F)C=C2)CC1.
What is the InChIKey of 4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol?
The InChIKey is DVXMGIZEPOSDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15-9-7-13(16,8-10-15)11-3-2-4-12(14)6-5-11/h2-6,11,16H,7-10H2,1H3.
What are the key properties of 4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol?
4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol has a molecular weight of 223.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 142097572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).