1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol

C20H23Cl2NO3 — CID 45268941

IUPAC1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESO[C@@H](COc1ccc(Cl)cc1)CN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23Cl2NO3/c21-16-3-1-15(2-4-16)20(25)9-11-23(12-10-20)13-18(24)14-26-19-7-5-17(22)6-8-19/h1-8,18,24-25H,9-14H2/t18-/m1/s1
InChIKeyOXBDYHLTXBCTSE-GOSISDBHSA-N
MW396.31 g/mol
LogP3.72
Rot. Bonds6

About 1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol

1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 45268941) has the molecular formula C20H23Cl2NO3 and a molecular weight of 396.31 g/mol. Its IUPAC name is 1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID45268941
Molecular FormulaC20H23Cl2NO3
Molecular Weight396.31 g/mol
Exact Mass395.11
IUPAC Name1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESO[C@@H](COc1ccc(Cl)cc1)CN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23Cl2NO3/c21-16-3-1-15(2-4-16)20(25)9-11-23(12-10-20)13-18(24)14-26-19-7-5-17(22)6-8-19/h1-8,18,24-25H,9-14H2/t18-/m1/s1
InChIKeyOXBDYHLTXBCTSE-GOSISDBHSA-N
XLogP3.72
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol (CID 45268941) is 1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol is O[C@@H](COc1ccc(Cl)cc1)CN1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is OXBDYHLTXBCTSE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23Cl2NO3/c21-16-3-1-15(2-4-16)20(25)9-11-23(12-10-20)13-18(24)14-26-19-7-5-17(22)6-8-19/h1-8,18,24-25H,9-14H2/t18-/m1/s1.
What are the key properties of 1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol?
1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 396.31 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 45268941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).