ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol

C19H32FNO3 — CID 143502107

IUPACethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol
SMILESCC.CCC(=O)N1CCC(c2cc(C)c(OC)cc2F)CC1.CO
InChIInChI=1S/C16H22FNO2.C2H6.CH4O/c1-4-16(19)18-7-5-12(6-8-18)13-9-11(2)15(20-3)10-14(13)17;2*1-2/h9-10,12H,4-8H2,1-3H3;1-2H3;2H,1H3
InChIKeyUGUSSVLLXWTZLF-UHFFFAOYSA-N
MW341.47 g/mol
LogP3.89
Rot. Bonds3

About ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol

ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol (PubChem CID 143502107) has the molecular formula C19H32FNO3 and a molecular weight of 341.47 g/mol. Its IUPAC name is ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol.

Molecular Properties

Compound Nameethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol
PubChem CID143502107
Molecular FormulaC19H32FNO3
Molecular Weight341.47 g/mol
Exact Mass341.24
IUPAC Nameethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol
SMILESCC.CCC(=O)N1CCC(c2cc(C)c(OC)cc2F)CC1.CO
InChIInChI=1S/C16H22FNO2.C2H6.CH4O/c1-4-16(19)18-7-5-12(6-8-18)13-9-11(2)15(20-3)10-14(13)17;2*1-2/h9-10,12H,4-8H2,1-3H3;1-2H3;2H,1H3
InChIKeyUGUSSVLLXWTZLF-UHFFFAOYSA-N
XLogP3.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 146652443
ethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol
CID 143502098
tert-butyl 4-(2-fluoro-4-methoxycarbonyl-5-methylphenyl)piperidine-1-carboxylate
CID 166077537
1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817224
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 110800534
1-[4-[2-(4,5-dimethoxy-2-methylphenyl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110805906
1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796597
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
N'-(4-fluorophenyl)-N-[4-[1-[2-(4-methoxy-3-methylphenyl)acetyl]piperidin-4-yl]phenyl]propanediamide
CID 171678318
1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 134478036
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 110806586
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 103900845

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol?
The IUPAC name of ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol (CID 143502107) is ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol.
What is the SMILES notation for ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol?
The canonical SMILES for ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol is CC.CCC(=O)N1CCC(c2cc(C)c(OC)cc2F)CC1.CO.
What is the InChIKey of ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol?
The InChIKey is UGUSSVLLXWTZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2.C2H6.CH4O/c1-4-16(19)18-7-5-12(6-8-18)13-9-11(2)15(20-3)10-14(13)17;2*1-2/h9-10,12H,4-8H2,1-3H3;1-2H3;2H,1H3.
What are the key properties of ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol?
ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol has a molecular weight of 341.47 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol is sourced from PubChem (CID 143502107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).