4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol

C20H24ClNO2 — CID 11674616

IUPAC4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C20H24ClNO2/c21-18-9-7-17(8-10-18)20(23)11-14-22(15-12-20)13-4-16-24-19-5-2-1-3-6-19/h1-3,5-10,23H,4,11-16H2
InChIKeyXWQUNGTZLGEOJE-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.09
Rot. Bonds6

About 4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol

4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol (PubChem CID 11674616) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol
PubChem CID11674616
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C20H24ClNO2/c21-18-9-7-17(8-10-18)20(23)11-14-22(15-12-20)13-4-16-24-19-5-2-1-3-6-19/h1-3,5-10,23H,4,11-16H2
InChIKeyXWQUNGTZLGEOJE-UHFFFAOYSA-N
XLogP4.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol (CID 11674616) is 4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccccc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol?
The InChIKey is XWQUNGTZLGEOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c21-18-9-7-17(8-10-18)20(23)11-14-22(15-12-20)13-4-16-24-19-5-2-1-3-6-19/h1-3,5-10,23H,4,11-16H2.
What are the key properties of 4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol?
4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol has a molecular weight of 345.87 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(3-phenoxypropyl)piperidin-4-ol is sourced from PubChem (CID 11674616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).