4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol

C19H22ClNO2 — CID 2809778

IUPAC4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol
SMILESOC(CN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c20-17-8-6-16(7-9-17)19(23)10-12-21(13-11-19)14-18(22)15-4-2-1-3-5-15/h1-9,18,22-23H,10-14H2
InChIKeyAKFFNUJUESASEM-UHFFFAOYSA-N
MW331.84 g/mol
LogP3.36
Rot. Bonds4

About 4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol

4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol (PubChem CID 2809778) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol
PubChem CID2809778
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol
SMILESOC(CN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c20-17-8-6-16(7-9-17)19(23)10-12-21(13-11-19)14-18(22)15-4-2-1-3-5-15/h1-9,18,22-23H,10-14H2
InChIKeyAKFFNUJUESASEM-UHFFFAOYSA-N
XLogP3.36
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol (CID 2809778) is 4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol is OC(CN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol?
The InChIKey is AKFFNUJUESASEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c20-17-8-6-16(7-9-17)19(23)10-12-21(13-11-19)14-18(22)15-4-2-1-3-5-15/h1-9,18,22-23H,10-14H2.
What are the key properties of 4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol?
4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol has a molecular weight of 331.84 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol is sourced from PubChem (CID 2809778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).