(1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol

C16H24FNO2 — CID 107912877

IUPAC(1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCCC2CCCCN2C)cc1F
InChIInChI=1S/C16H24FNO2/c1-12(19)15-7-6-14(11-16(15)17)20-10-8-13-5-3-4-9-18(13)2/h6-7,11-13,19H,3-5,8-10H2,1-2H3/t12-,13?/m1/s1
InChIKeyDIPSJKGBXFSMKJ-PZORYLMUSA-N
MW281.37 g/mol
LogP3.13
Rot. Bonds5

About (1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol

(1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol (PubChem CID 107912877) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
PubChem CID107912877
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name(1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCCC2CCCCN2C)cc1F
InChIInChI=1S/C16H24FNO2/c1-12(19)15-7-6-14(11-16(15)17)20-10-8-13-5-3-4-9-18(13)2/h6-7,11-13,19H,3-5,8-10H2,1-2H3/t12-,13?/m1/s1
InChIKeyDIPSJKGBXFSMKJ-PZORYLMUSA-N
XLogP3.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912832
(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 107720404
(1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 107720623
3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 107913167
4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol
CID 107912801
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913129
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913130
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol (CID 107912877) is (1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol is C[C@@H](O)c1ccc(OCCC2CCCCN2C)cc1F.
What is the InChIKey of (1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol?
The InChIKey is DIPSJKGBXFSMKJ-PZORYLMUSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-12(19)15-7-6-14(11-16(15)17)20-10-8-13-5-3-4-9-18(13)2/h6-7,11-13,19H,3-5,8-10H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol?
(1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol has a molecular weight of 281.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 107912877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).