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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Related Compounds

(2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide
CID 52944538
3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 106589114
5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 67618932
1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073524
(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 141046159
1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol
CID 112510765
(2S)-2-[4-[[(3S)-1-benzylpiperidin-3-yl]methyl]phenyl]-3,3-dimethylbutan-1-ol
CID 139520323
1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine
CID 142103479
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
(1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol
CID 107223590
ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine
CID 153329606
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419

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).