1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol

C20H22ClNO — CID 6036933

IUPAC1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(C/C=C/c2ccccc2Cl)CC1
InChIInChI=1S/C20H22ClNO/c21-19-11-5-4-7-17(19)8-6-14-22-15-12-20(23,13-16-22)18-9-2-1-3-10-18/h1-11,23H,12-16H2/b8-6+
InChIKeyBJMVUTQTICUHQJ-SOFGYWHQSA-N
MW327.86 g/mol
LogP4.34
Rot. Bonds4

About 1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol

1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol (PubChem CID 6036933) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol
PubChem CID6036933
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(C/C=C/c2ccccc2Cl)CC1
InChIInChI=1S/C20H22ClNO/c21-19-11-5-4-7-17(19)8-6-14-22-15-12-20(23,13-16-22)18-9-2-1-3-10-18/h1-11,23H,12-16H2/b8-6+
InChIKeyBJMVUTQTICUHQJ-SOFGYWHQSA-N
XLogP4.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol (CID 6036933) is 1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol is OC1(c2ccccc2)CCN(C/C=C/c2ccccc2Cl)CC1.
What is the InChIKey of 1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol?
The InChIKey is BJMVUTQTICUHQJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H22ClNO/c21-19-11-5-4-7-17(19)8-6-14-22-15-12-20(23,13-16-22)18-9-2-1-3-10-18/h1-11,23H,12-16H2/b8-6+.
What are the key properties of 1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol?
1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol has a molecular weight of 327.86 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 6036933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).