benzyl 3-methylpiperidine-1-carboxylate;ethane

C16H25NO2 — CID 144599174

IUPACbenzyl 3-methylpiperidine-1-carboxylate;ethane
SMILESCC.CC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H19NO2.C2H6/c1-12-6-5-9-15(10-12)14(16)17-11-13-7-3-2-4-8-13;1-2/h2-4,7-8,12H,5-6,9-11H2,1H3;1-2H3
InChIKeyLWQQOSHHLCLCJX-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.08
Rot. Bonds2

About benzyl 3-methylpiperidine-1-carboxylate;ethane

benzyl 3-methylpiperidine-1-carboxylate;ethane (PubChem CID 144599174) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is benzyl 3-methylpiperidine-1-carboxylate;ethane.

Molecular Properties

Compound Namebenzyl 3-methylpiperidine-1-carboxylate;ethane
PubChem CID144599174
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namebenzyl 3-methylpiperidine-1-carboxylate;ethane
SMILESCC.CC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H19NO2.C2H6/c1-12-6-5-9-15(10-12)14(16)17-11-13-7-3-2-4-8-13;1-2/h2-4,7-8,12H,5-6,9-11H2,1H3;1-2H3
InChIKeyLWQQOSHHLCLCJX-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 3-(methylamino)piperidine-1-carboxylate
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CID 23000675
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
benzyl (3S)-3-(acetyloxymethyl)piperidine-1-carboxylate
CID 10589659
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl 3-azabicyclo[5.1.0]octane-3-carboxylate
CID 141040263
benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110678516
benzyl (1R,7S)-8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 89171157
benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride
CID 19077314
benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate
CID 174760460

Frequently Asked Questions

What is the IUPAC name of benzyl 3-methylpiperidine-1-carboxylate;ethane?
The IUPAC name of benzyl 3-methylpiperidine-1-carboxylate;ethane (CID 144599174) is benzyl 3-methylpiperidine-1-carboxylate;ethane.
What is the SMILES notation for benzyl 3-methylpiperidine-1-carboxylate;ethane?
The canonical SMILES for benzyl 3-methylpiperidine-1-carboxylate;ethane is CC.CC1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-methylpiperidine-1-carboxylate;ethane?
The InChIKey is LWQQOSHHLCLCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.C2H6/c1-12-6-5-9-15(10-12)14(16)17-11-13-7-3-2-4-8-13;1-2/h2-4,7-8,12H,5-6,9-11H2,1H3;1-2H3.
What are the key properties of benzyl 3-methylpiperidine-1-carboxylate;ethane?
benzyl 3-methylpiperidine-1-carboxylate;ethane has a molecular weight of 263.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-methylpiperidine-1-carboxylate;ethane is sourced from PubChem (CID 144599174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).