ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine

C16H26FNO — CID 144598997

IUPACethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
SMILESCC.COc1cccc(F)c1CN1CCC[C@@H](C)C1
InChIInChI=1S/C14H20FNO.C2H6/c1-11-5-4-8-16(9-11)10-12-13(15)6-3-7-14(12)17-2;1-2/h3,6-7,11H,4-5,8-10H2,1-2H3;1-2H3/t11-;/m1./s1
InChIKeySKJQZBVKGXAQRP-RFVHGSKJSA-N
MW267.39 g/mol
LogP4.09
Rot. Bonds3

About ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine

ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine (PubChem CID 144598997) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine.

Molecular Properties

Compound Nameethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
PubChem CID144598997
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Nameethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
SMILESCC.COc1cccc(F)c1CN1CCC[C@@H](C)C1
InChIInChI=1S/C14H20FNO.C2H6/c1-11-5-4-8-16(9-11)10-12-13(15)6-3-7-14(12)17-2;1-2/h3,6-7,11H,4-5,8-10H2,1-2H3;1-2H3/t11-;/m1./s1
InChIKeySKJQZBVKGXAQRP-RFVHGSKJSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
CID 168511341
[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea
CID 118272184
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine
CID 26458710
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920255
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
CID 783360
(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine
CID 26458149
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589
(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2182375
(3R)-1-[4-(2,6-dimethoxyphenoxy)but-2-ynyl]-3-methylpiperidine
CID 27241348
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
(2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 124972882

Frequently Asked Questions

What is the IUPAC name of ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine?
The IUPAC name of ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine (CID 144598997) is ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine.
What is the SMILES notation for ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine?
The canonical SMILES for ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine is CC.COc1cccc(F)c1CN1CCC[C@@H](C)C1.
What is the InChIKey of ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine?
The InChIKey is SKJQZBVKGXAQRP-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H20FNO.C2H6/c1-11-5-4-8-16(9-11)10-12-13(15)6-3-7-14(12)17-2;1-2/h3,6-7,11H,4-5,8-10H2,1-2H3;1-2H3/t11-;/m1./s1.
What are the key properties of ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine?
ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine has a molecular weight of 267.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine is sourced from PubChem (CID 144598997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).