1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol

C16H22FNO — CID 91941500

IUPAC1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1CC=Cc1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-13(19)16-6-2-3-11-18(16)12-4-5-14-7-9-15(17)10-8-14/h4-5,7-10,13,16,19H,2-3,6,11-12H2,1H3
InChIKeyQEWJAAFRQLWWKR-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.07
Rot. Bonds4

About 1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol

1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol (PubChem CID 91941500) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol
PubChem CID91941500
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1CC=Cc1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-13(19)16-6-2-3-11-18(16)12-4-5-14-7-9-15(17)10-8-14/h4-5,7-10,13,16,19H,2-3,6,11-12H2,1H3
InChIKeyQEWJAAFRQLWWKR-UHFFFAOYSA-N
XLogP3.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 111106746
1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
CID 122036670
methyl (2S,3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-3-hydroxypiperidine-2-carboxylate
CID 129399684
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 111106797
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 76990979
1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 111106832
(1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol
CID 95303642
[1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol
CID 171138106
1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882687
methyl 2-[(2S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetate
CID 129393431
1-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
CID 77081809
1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
CID 99929236

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol?
The IUPAC name of 1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol (CID 91941500) is 1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol?
The canonical SMILES for 1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol is CC(O)C1CCCCN1CC=Cc1ccc(F)cc1.
What is the InChIKey of 1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol?
The InChIKey is QEWJAAFRQLWWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-13(19)16-6-2-3-11-18(16)12-4-5-14-7-9-15(17)10-8-14/h4-5,7-10,13,16,19H,2-3,6,11-12H2,1H3.
What are the key properties of 1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol?
1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol has a molecular weight of 263.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 91941500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).