1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol

C22H27F2NO — CID 10666185

IUPAC1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol
SMILESOC(CCCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H27F2NO/c23-20-7-3-17(4-8-20)16-18-11-14-25(15-12-18)13-1-2-22(26)19-5-9-21(24)10-6-19/h3-10,18,22,26H,1-2,11-16H2
InChIKeyZCFXTMMXUQBWTL-UHFFFAOYSA-N
MW359.46 g/mol
LogP4.73
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol

1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol (PubChem CID 10666185) has the molecular formula C22H27F2NO and a molecular weight of 359.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol
PubChem CID10666185
Molecular FormulaC22H27F2NO
Molecular Weight359.46 g/mol
Exact Mass359.21
IUPAC Name1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol
SMILESOC(CCCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H27F2NO/c23-20-7-3-17(4-8-20)16-18-11-14-25(15-12-18)13-1-2-22(26)19-5-9-21(24)10-6-19/h3-10,18,22,26H,1-2,11-16H2
InChIKeyZCFXTMMXUQBWTL-UHFFFAOYSA-N
XLogP4.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol (CID 10666185) is 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol is OC(CCCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol?
The InChIKey is ZCFXTMMXUQBWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2NO/c23-20-7-3-17(4-8-20)16-18-11-14-25(15-12-18)13-1-2-22(26)19-5-9-21(24)10-6-19/h3-10,18,22,26H,1-2,11-16H2.
What are the key properties of 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol?
1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol has a molecular weight of 359.46 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 10666185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).