4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol

C15H22FNO — CID 60895688

IUPAC4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO/c1-12(2)17-9-7-15(18,8-10-17)11-13-3-5-14(16)6-4-13/h3-6,12,18H,7-11H2,1-2H3
InChIKeyRZFMUVHLYOCDOC-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.60
Rot. Bonds3

About 4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol

4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol (PubChem CID 60895688) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol
PubChem CID60895688
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO/c1-12(2)17-9-7-15(18,8-10-17)11-13-3-5-14(16)6-4-13/h3-6,12,18H,7-11H2,1-2H3
InChIKeyRZFMUVHLYOCDOC-UHFFFAOYSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol (CID 60895688) is 4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol is CC(C)N1CCC(O)(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol?
The InChIKey is RZFMUVHLYOCDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12(2)17-9-7-15(18,8-10-17)11-13-3-5-14(16)6-4-13/h3-6,12,18H,7-11H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol?
4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol has a molecular weight of 251.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 60895688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).