[3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone

C32H37FN2O2 — CID 10117825

IUPAC[3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(CCCN2CCC(O)(c3ccccc3)CC2)(c2ccc(F)cc2)C1
InChIInChI=1S/C32H37FN2O2/c33-29-15-13-27(14-16-29)31(18-8-22-35(25-31)30(36)26-9-3-1-4-10-26)17-7-21-34-23-19-32(37,20-24-34)28-11-5-2-6-12-28/h1-6,9-16,37H,7-8,17-25H2
InChIKeyTWHGWVWWYBLBSQ-UHFFFAOYSA-N
MW500.66 g/mol
LogP5.76
Rot. Bonds7

About [3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone

[3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone (PubChem CID 10117825) has the molecular formula C32H37FN2O2 and a molecular weight of 500.66 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone
PubChem CID10117825
Molecular FormulaC32H37FN2O2
Molecular Weight500.66 g/mol
Exact Mass500.28
IUPAC Name[3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(CCCN2CCC(O)(c3ccccc3)CC2)(c2ccc(F)cc2)C1
InChIInChI=1S/C32H37FN2O2/c33-29-15-13-27(14-16-29)31(18-8-22-35(25-31)30(36)26-9-3-1-4-10-26)17-7-21-34-23-19-32(37,20-24-34)28-11-5-2-6-12-28/h1-6,9-16,37H,7-8,17-25H2
InChIKeyTWHGWVWWYBLBSQ-UHFFFAOYSA-N
XLogP5.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.66
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone (CID 10117825) is [3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC(CCCN2CCC(O)(c3ccccc3)CC2)(c2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is TWHGWVWWYBLBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN2O2/c33-29-15-13-27(14-16-29)31(18-8-22-35(25-31)30(36)26-9-3-1-4-10-26)17-7-21-34-23-19-32(37,20-24-34)28-11-5-2-6-12-28/h1-6,9-16,37H,7-8,17-25H2.
What are the key properties of [3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone?
[3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 500.66 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 10117825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).