1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol

C27H28Cl3NO — CID 11642194

IUPAC1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H28Cl3NO/c28-23-9-3-20(4-10-23)26(21-5-11-24(29)12-6-21)2-1-17-31-18-15-27(32,16-19-31)22-7-13-25(30)14-8-22/h3-14,26,32H,1-2,15-19H2
InChIKeyMOQCAQOBFUPMGV-UHFFFAOYSA-N
MW488.89 g/mol
LogP7.54
Rot. Bonds7

About 1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol

1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 11642194) has the molecular formula C27H28Cl3NO and a molecular weight of 488.89 g/mol. Its IUPAC name is 1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID11642194
Molecular FormulaC27H28Cl3NO
Molecular Weight488.89 g/mol
Exact Mass487.12
IUPAC Name1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H28Cl3NO/c28-23-9-3-20(4-10-23)26(21-5-11-24(29)12-6-21)2-1-17-31-18-15-27(32,16-19-31)22-7-13-25(30)14-8-22/h3-14,26,32H,1-2,15-19H2
InChIKeyMOQCAQOBFUPMGV-UHFFFAOYSA-N
XLogP7.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.89
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol (CID 11642194) is 1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is MOQCAQOBFUPMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl3NO/c28-23-9-3-20(4-10-23)26(21-5-11-24(29)12-6-21)2-1-17-31-18-15-27(32,16-19-31)22-7-13-25(30)14-8-22/h3-14,26,32H,1-2,15-19H2.
What are the key properties of 1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol?
1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 488.89 g/mol, XLogP of 7.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-chlorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 11642194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).