1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol

C18H28FNO — CID 153405646

IUPAC1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol
SMILESCC(F)CCN1CCCC(Cc2ccc(C(C)O)cc2)C1
InChIInChI=1S/C18H28FNO/c1-14(19)9-11-20-10-3-4-17(13-20)12-16-5-7-18(8-6-16)15(2)21/h5-8,14-15,17,21H,3-4,9-13H2,1-2H3
InChIKeyHYIFUKZARJSNLI-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.74
Rot. Bonds6

About 1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol

1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol (PubChem CID 153405646) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol
PubChem CID153405646
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol
SMILESCC(F)CCN1CCCC(Cc2ccc(C(C)O)cc2)C1
InChIInChI=1S/C18H28FNO/c1-14(19)9-11-20-10-3-4-17(13-20)12-16-5-7-18(8-6-16)15(2)21/h5-8,14-15,17,21H,3-4,9-13H2,1-2H3
InChIKeyHYIFUKZARJSNLI-UHFFFAOYSA-N
XLogP3.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol?
The IUPAC name of 1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol (CID 153405646) is 1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol?
The canonical SMILES for 1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol is CC(F)CCN1CCCC(Cc2ccc(C(C)O)cc2)C1.
What is the InChIKey of 1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol?
The InChIKey is HYIFUKZARJSNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-14(19)9-11-20-10-3-4-17(13-20)12-16-5-7-18(8-6-16)15(2)21/h5-8,14-15,17,21H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol?
1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol has a molecular weight of 293.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol is sourced from PubChem (CID 153405646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).