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

C27H25Cl2NO — CID 21480580

IUPAC4-(4-chlorophenyl)-1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1
InChIInChI=1S/C27H25Cl2NO/c28-19-7-5-18(6-8-19)27(31)11-13-30(14-12-27)17-26-16-23(21-3-1-2-4-24(21)26)22-10-9-20(29)15-25(22)26/h1-10,15,23,31H,11-14,16-17H2
InChIKeyXGAMXYIDAPFJHK-UHFFFAOYSA-N
MW450.41 g/mol
LogP6.11
Rot. Bonds3

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

4-(4-chlorophenyl)-1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-ol (PubChem CID 21480580) has the molecular formula C27H25Cl2NO and a molecular weight of 450.41 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-ol
PubChem CID21480580
Molecular FormulaC27H25Cl2NO
Molecular Weight450.41 g/mol
Exact Mass449.13
IUPAC Name4-(4-chlorophenyl)-1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1
InChIInChI=1S/C27H25Cl2NO/c28-19-7-5-18(6-8-19)27(31)11-13-30(14-12-27)17-26-16-23(21-3-1-2-4-24(21)26)22-10-9-20(29)15-25(22)26/h1-10,15,23,31H,11-14,16-17H2
InChIKeyXGAMXYIDAPFJHK-UHFFFAOYSA-N
XLogP6.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.41
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-chlorophenyl)-1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]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-Chloro-phenyl)-1-[4-(4-chloro-phenyl)-4-phenyl-butyl]-piperidin-4-ol
CID 11525302
1-[4,4-Bis-(4-chloro-phenyl)-butyl]-4-(4-chloro-phenyl)-piperidin-4-ol
CID 11642194
1-[4-Biphenyl-4-yl-4-(4-chloro-phenyl)-butyl]-4-(4-chloro-phenyl)-piperidin-4-ol
CID 11656660
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
1-(2-Chloro-9,10-dihydro-9,10-methanoanthracen-9-ylmethyl)-4-(4-fluorophenyl)piperidin-4-ol
CID 21480644
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
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol;ethane
CID 144279833
3,4-Bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol
CID 123601606
4-tert-butyl-1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-ol
CID 9887004
(3,4-Dichlorophenyl)-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol
CID 19698685

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-ol (CID 21480580) is 4-(4-chlorophenyl)-1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-ol?
The InChIKey is XGAMXYIDAPFJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2NO/c28-19-7-5-18(6-8-19)27(31)11-13-30(14-12-27)17-26-16-23(21-3-1-2-4-24(21)26)22-10-9-20(29)15-25(22)26/h1-10,15,23,31H,11-14,16-17H2.
What are the key properties of 4-(4-chlorophenyl)-1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-ol has a molecular weight of 450.41 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 21480580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).