4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol

C22H27FN2O — CID 139636090

IUPAC4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCC3)CC1
InChIInChI=1S/C22H27FN2O/c1-25-13-11-22(26,12-14-25)21-15-19(16-7-9-17(23)10-8-16)18-5-3-2-4-6-20(18)24-21/h7-10,15,26H,2-6,11-14H2,1H3
InChIKeyJQFNMGPJHIFSRU-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.07
Rot. Bonds2

About 4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol

4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol (PubChem CID 139636090) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol
PubChem CID139636090
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCC3)CC1
InChIInChI=1S/C22H27FN2O/c1-25-13-11-22(26,12-14-25)21-15-19(16-7-9-17(23)10-8-16)18-5-3-2-4-6-20(18)24-21/h7-10,15,26H,2-6,11-14H2,1H3
InChIKeyJQFNMGPJHIFSRU-UHFFFAOYSA-N
XLogP4.07
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol (CID 139636090) is 4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol is CN1CCC(O)(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCC3)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol?
The InChIKey is JQFNMGPJHIFSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-25-13-11-22(26,12-14-25)21-15-19(16-7-9-17(23)10-8-16)18-5-3-2-4-6-20(18)24-21/h7-10,15,26H,2-6,11-14H2,1H3.
What are the key properties of 4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol?
4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol has a molecular weight of 354.47 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 139636090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).