benzyl (2R,6S)-6-methylpiperidine-2-carboxylate

C14H19NO2 — CID 788180

IUPACbenzyl (2R,6S)-6-methylpiperidine-2-carboxylate
SMILESC[C@H]1CCC[C@H](C(=O)OCc2ccccc2)N1
InChIInChI=1S/C14H19NO2/c1-11-6-5-9-13(15-11)14(16)17-10-12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13+/m0/s1
InChIKeyVCDXZKWEOAGDCL-WCQYABFASA-N
MW233.31 g/mol
LogP2.26
Rot. Bonds3

About benzyl (2R,6S)-6-methylpiperidine-2-carboxylate

benzyl (2R,6S)-6-methylpiperidine-2-carboxylate (PubChem CID 788180) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is benzyl (2R,6S)-6-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,6S)-6-methylpiperidine-2-carboxylate
PubChem CID788180
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namebenzyl (2R,6S)-6-methylpiperidine-2-carboxylate
SMILESC[C@H]1CCC[C@H](C(=O)OCc2ccccc2)N1
InChIInChI=1S/C14H19NO2/c1-11-6-5-9-13(15-11)14(16)17-10-12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13+/m0/s1
InChIKeyVCDXZKWEOAGDCL-WCQYABFASA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;benzyl (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate
CID 161397134
benzyl (2S)-4-methyl-5-oxopyrrolidine-2-carboxylate
CID 176974186
benzyl (2S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride
CID 22309109
benzyl (2S,5R)-5-cyanopyrrolidine-2-carboxylate
CID 123705282
2-aminopropanoic acid;benzyl pyrrolidine-2-carboxylate
CID 19802280
trans-(1S,3S)-3-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 68554309
benzyl (2S)-2-methylpiperidine-4-carboxylate
CID 58583746
benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 50999035
benzyl 3a-methyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 71029556
benzyl bicyclo[3.2.1]octane-8-carboxylate
CID 154453040
benzyl (2S)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate;benzyl (2S,5S)-5-methylpyrrolidine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 90905019
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,6S)-6-methylpiperidine-2-carboxylate?
The IUPAC name of benzyl (2R,6S)-6-methylpiperidine-2-carboxylate (CID 788180) is benzyl (2R,6S)-6-methylpiperidine-2-carboxylate.
What is the SMILES notation for benzyl (2R,6S)-6-methylpiperidine-2-carboxylate?
The canonical SMILES for benzyl (2R,6S)-6-methylpiperidine-2-carboxylate is C[C@H]1CCC[C@H](C(=O)OCc2ccccc2)N1.
What is the InChIKey of benzyl (2R,6S)-6-methylpiperidine-2-carboxylate?
The InChIKey is VCDXZKWEOAGDCL-WCQYABFASA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-6-5-9-13(15-11)14(16)17-10-12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13+/m0/s1.
What are the key properties of benzyl (2R,6S)-6-methylpiperidine-2-carboxylate?
benzyl (2R,6S)-6-methylpiperidine-2-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,6S)-6-methylpiperidine-2-carboxylate is sourced from PubChem (CID 788180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).