4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol

C16H24FNO — CID 12972972

IUPAC4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol
SMILESCC(O)CCN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FNO/c1-13(19)6-9-18-10-7-15(8-11-18)12-14-2-4-16(17)5-3-14/h2-5,13,15,19H,6-12H2,1H3
InChIKeyUQGQXHHOEQZYAL-UHFFFAOYSA-N
MW265.37 g/mol
LogP2.85
Rot. Bonds5

About 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol

4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol (PubChem CID 12972972) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol
PubChem CID12972972
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol
SMILESCC(O)CCN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FNO/c1-13(19)6-9-18-10-7-15(8-11-18)12-14-2-4-16(17)5-3-14/h2-5,13,15,19H,6-12H2,1H3
InChIKeyUQGQXHHOEQZYAL-UHFFFAOYSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol?
The IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol (CID 12972972) is 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol is CC(O)CCN1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol?
The InChIKey is UQGQXHHOEQZYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-13(19)6-9-18-10-7-15(8-11-18)12-14-2-4-16(17)5-3-14/h2-5,13,15,19H,6-12H2,1H3.
What are the key properties of 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol?
4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol has a molecular weight of 265.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 12972972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).