4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol

C20H24ClNO3 — CID 10451266

IUPAC4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
SMILESC[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24ClNO3/c1-14(19(24)15-2-8-18(23)9-3-15)22-12-10-20(25,11-13-22)16-4-6-17(21)7-5-16/h2-9,14,19,23-25H,10-13H2,1H3/t14-,19+/m0/s1
InChIKeyGFJNMDSESLEGMQ-IFXJQAMLSA-N
MW361.87 g/mol
LogP3.45
Rot. Bonds4

About 4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol

4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol (PubChem CID 10451266) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
PubChem CID10451266
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
SMILESC[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24ClNO3/c1-14(19(24)15-2-8-18(23)9-3-15)22-12-10-20(25,11-13-22)16-4-6-17(21)7-5-16/h2-9,14,19,23-25H,10-13H2,1H3/t14-,19+/m0/s1
InChIKeyGFJNMDSESLEGMQ-IFXJQAMLSA-N
XLogP3.45
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol (CID 10451266) is 4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol is C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol?
The InChIKey is GFJNMDSESLEGMQ-IFXJQAMLSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-14(19(24)15-2-8-18(23)9-3-15)22-12-10-20(25,11-13-22)16-4-6-17(21)7-5-16/h2-9,14,19,23-25H,10-13H2,1H3/t14-,19+/m0/s1.
What are the key properties of 4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol has a molecular weight of 361.87 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol is sourced from PubChem (CID 10451266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).