[1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate

C14H18FNO3 — CID 68802323

IUPAC[1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate
SMILESCOC(=O)OC1CCN(c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C14H18FNO3/c1-10-9-11(3-4-13(10)15)16-7-5-12(6-8-16)19-14(17)18-2/h3-4,9,12H,5-8H2,1-2H3
InChIKeyXYRSKWQUESMGSF-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.89
Rot. Bonds2

About [1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate

[1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate (PubChem CID 68802323) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is [1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate.

Molecular Properties

Compound Name[1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate
PubChem CID68802323
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name[1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate
SMILESCOC(=O)OC1CCN(c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C14H18FNO3/c1-10-9-11(3-4-13(10)15)16-7-5-12(6-8-16)19-14(17)18-2/h3-4,9,12H,5-8H2,1-2H3
InChIKeyXYRSKWQUESMGSF-UHFFFAOYSA-N
XLogP2.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpiperidin-4-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate
CID 155535972
1-(3-Methylphenyl)piperidin-4-ol
CID 82075640
Tert-butyl 4-[2-fluoro-3-[[methoxycarbonyl(methyl)amino]methyl]phenyl]piperazine-1-carboxylate
CID 132456401
1-(2-Fluorophenyl)-4-methoxypiperidine
CID 15403847
1-Methyl-4-piperidinyl 3-ethylphenylcarbamate
CID 678217
3-(4-Methylphenyl)-1,3-oxazinan-2-one
CID 291938
8-(4-Methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 389879
1-(2-Fluorophenyl)-4,4-dimethoxypiperidine
CID 820828
Methyl 3-oxo-7-(m-tolyl)-2,4,10-trioxa-7-azaundecan-11-oate
CID 117638
Ethyl 2-(ethyl(m-tolyl)amino)ethyl carbonate
CID 53880214
Ethyl 4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 3449197
1-[3-(Trifluoromethyl)phenyl]piperidin-4-ol
CID 3018309

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate?
The IUPAC name of [1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate (CID 68802323) is [1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate.
What is the SMILES notation for [1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate?
The canonical SMILES for [1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate is COC(=O)OC1CCN(c2ccc(F)c(C)c2)CC1.
What is the InChIKey of [1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate?
The InChIKey is XYRSKWQUESMGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10-9-11(3-4-13(10)15)16-7-5-12(6-8-16)19-14(17)18-2/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of [1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate?
[1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate has a molecular weight of 267.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate is sourced from PubChem (CID 68802323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).