1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride

C20H25Cl2NO — CID 3039647

IUPAC1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OC(CCN1CCCCC1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO.ClH/c21-19-10-8-17(9-11-19)16-4-6-18(7-5-16)20(23)12-15-22-13-2-1-3-14-22;/h4-11,20,23H,1-3,12-15H2;1H
InChIKeyKISJDZUHEUSTPZ-UHFFFAOYSA-N
MW366.33 g/mol
LogP5.34
Rot. Bonds5

About 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride

1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride (PubChem CID 3039647) has the molecular formula C20H25Cl2NO and a molecular weight of 366.33 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride
PubChem CID3039647
Molecular FormulaC20H25Cl2NO
Molecular Weight366.33 g/mol
Exact Mass365.13
IUPAC Name1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OC(CCN1CCCCC1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO.ClH/c21-19-10-8-17(9-11-19)16-4-6-18(7-5-16)20(23)12-15-22-13-2-1-3-14-22;/h4-11,20,23H,1-3,12-15H2;1H
InChIKeyKISJDZUHEUSTPZ-UHFFFAOYSA-N
XLogP5.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.33
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride (CID 3039647) is 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride is Cl.OC(CCN1CCCCC1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is KISJDZUHEUSTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO.ClH/c21-19-10-8-17(9-11-19)16-4-6-18(7-5-16)20(23)12-15-22-13-2-1-3-14-22;/h4-11,20,23H,1-3,12-15H2;1H.
What are the key properties of 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 366.33 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 3039647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).