4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol

C28H32ClNO2 — CID 11705066

IUPAC4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol
SMILESCOc1ccc(C(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H32ClNO2/c1-32-26-15-9-23(10-16-26)27(22-6-3-2-4-7-22)8-5-19-30-20-17-28(31,18-21-30)24-11-13-25(29)14-12-24/h2-4,6-7,9-16,27,31H,5,8,17-21H2,1H3
InChIKeyDTTPNSUBWNUHRU-UHFFFAOYSA-N
MW450.02 g/mol
LogP6.24
Rot. Bonds8

About 4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol (PubChem CID 11705066) has the molecular formula C28H32ClNO2 and a molecular weight of 450.02 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol
PubChem CID11705066
Molecular FormulaC28H32ClNO2
Molecular Weight450.02 g/mol
Exact Mass449.21
IUPAC Name4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol
SMILESCOc1ccc(C(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H32ClNO2/c1-32-26-15-9-23(10-16-26)27(22-6-3-2-4-7-22)8-5-19-30-20-17-28(31,18-21-30)24-11-13-25(29)14-12-24/h2-4,6-7,9-16,27,31H,5,8,17-21H2,1H3
InChIKeyDTTPNSUBWNUHRU-UHFFFAOYSA-N
XLogP6.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.02
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol (CID 11705066) is 4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol is COc1ccc(C(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol?
The InChIKey is DTTPNSUBWNUHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClNO2/c1-32-26-15-9-23(10-16-26)27(22-6-3-2-4-7-22)8-5-19-30-20-17-28(31,18-21-30)24-11-13-25(29)14-12-24/h2-4,6-7,9-16,27,31H,5,8,17-21H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol has a molecular weight of 450.02 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol is sourced from PubChem (CID 11705066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).