1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol

C27H25ClFNO — CID 21480644

IUPAC1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1
InChIInChI=1S/C27H25ClFNO/c28-19-7-10-22-23-16-26(25(22)15-19,24-4-2-1-3-21(23)24)17-30-13-11-27(31,12-14-30)18-5-8-20(29)9-6-18/h1-10,15,23,31H,11-14,16-17H2
InChIKeyKQLGAWUOPJROGE-UHFFFAOYSA-N
MW433.95 g/mol
LogP5.60
Rot. Bonds3

About 1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol

1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol (PubChem CID 21480644) has the molecular formula C27H25ClFNO and a molecular weight of 433.95 g/mol. Its IUPAC name is 1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol
PubChem CID21480644
Molecular FormulaC27H25ClFNO
Molecular Weight433.95 g/mol
Exact Mass433.16
IUPAC Name1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1
InChIInChI=1S/C27H25ClFNO/c28-19-7-10-22-23-16-26(25(22)15-19,24-4-2-1-3-21(23)24)17-30-13-11-27(31,12-14-30)18-5-8-20(29)9-6-18/h1-10,15,23,31H,11-14,16-17H2
InChIKeyKQLGAWUOPJROGE-UHFFFAOYSA-N
XLogP5.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.95
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol with MolForge

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Related Compounds

1-(2-Chloro-9,10-dihydro-9,10-methanoanthracen-9-ylmethyl)-4-(1,1-dimethylethyl)piperidin-4-ol
CID 21480687
4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol
CID 46231273
6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11674012
(4-Fluorophenyl)-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol
CID 20083383
1-[4,4-Bis(4-fluorophenyl)cyclohexyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 20366939
1-(1-Tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 21480608
4-(4-Fluorophenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
CID 21480683
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol
CID 54671232
(R)-(4-fluorophenyl)-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol
CID 57020825
5-chloro-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950907
6-chloro-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951061
(S)-(4-fluorophenyl)-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol
CID 67753093

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol (CID 21480644) is 1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol is OC1(c2ccc(F)cc2)CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1.
What is the InChIKey of 1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol?
The InChIKey is KQLGAWUOPJROGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFNO/c28-19-7-10-22-23-16-26(25(22)15-19,24-4-2-1-3-21(23)24)17-30-13-11-27(31,12-14-30)18-5-8-20(29)9-6-18/h1-10,15,23,31H,11-14,16-17H2.
What are the key properties of 1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol?
1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol has a molecular weight of 433.95 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 21480644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).