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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Related Compounds

4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol
CID 11648468
1-[4,4-bis(4-methoxyphenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 53322618
4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
4-(4-chlorophenyl)-1-[4-hydroxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)butyl]piperidin-4-ol
CID 176515285
1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol
CID 51501484
1-[4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
CID 21241505
1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol
CID 51501364
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol
CID 51501554
1-[4,4-bis(3-methylphenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 52918009
(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol
CID 124843631
acetic acid;1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 131885739

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).