1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol

C31H37FN2O — CID 173319576

IUPAC1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(CCCC2(c3ccc(F)cc3)CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C31H37FN2O/c32-28-15-13-26(14-16-28)30(18-8-22-34(25-30)29-11-5-2-6-12-29)17-7-21-33-23-19-31(35,20-24-33)27-9-3-1-4-10-27/h1-6,9-16,35H,7-8,17-25H2
InChIKeyDSYAWVNZNCXHHD-UHFFFAOYSA-N
MW472.65 g/mol
LogP6.13
Rot. Bonds7

About 1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol

1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol (PubChem CID 173319576) has the molecular formula C31H37FN2O and a molecular weight of 472.65 g/mol. Its IUPAC name is 1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol
PubChem CID173319576
Molecular FormulaC31H37FN2O
Molecular Weight472.65 g/mol
Exact Mass472.29
IUPAC Name1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(CCCC2(c3ccc(F)cc3)CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C31H37FN2O/c32-28-15-13-26(14-16-28)30(18-8-22-34(25-30)29-11-5-2-6-12-29)17-7-21-33-23-19-31(35,20-24-33)27-9-3-1-4-10-27/h1-6,9-16,35H,7-8,17-25H2
InChIKeyDSYAWVNZNCXHHD-UHFFFAOYSA-N
XLogP6.13
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.65
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol (CID 173319576) is 1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol is OC1(c2ccccc2)CCN(CCCC2(c3ccc(F)cc3)CCCN(c3ccccc3)C2)CC1.
What is the InChIKey of 1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol?
The InChIKey is DSYAWVNZNCXHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN2O/c32-28-15-13-26(14-16-28)30(18-8-22-34(25-30)29-11-5-2-6-12-29)17-7-21-33-23-19-31(35,20-24-33)27-9-3-1-4-10-27/h1-6,9-16,35H,7-8,17-25H2.
What are the key properties of 1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol?
1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol has a molecular weight of 472.65 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 173319576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).