benzyl 3-(methylamino)piperidine-1-carboxylate

C14H20N2O2 — CID 45072221

IUPACbenzyl 3-(methylamino)piperidine-1-carboxylate
SMILESCNC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-15-13-8-5-9-16(10-13)14(17)18-11-12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11H2,1H3
InChIKeyNTHKMYRCEUJLOL-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds3

About benzyl 3-(methylamino)piperidine-1-carboxylate

benzyl 3-(methylamino)piperidine-1-carboxylate (PubChem CID 45072221) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is benzyl 3-(methylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(methylamino)piperidine-1-carboxylate
PubChem CID45072221
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namebenzyl 3-(methylamino)piperidine-1-carboxylate
SMILESCNC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-15-13-8-5-9-16(10-13)14(17)18-11-12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11H2,1H3
InChIKeyNTHKMYRCEUJLOL-UHFFFAOYSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride
CID 68753675
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate
CID 175852571
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
benzyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]piperidine-1-carboxylate
CID 68754722
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
benzyl 3-azabicyclo[5.1.0]octane-3-carboxylate
CID 141040263
tert-butyl (3R)-3-[(1-phenylmethoxycarbonylpiperidin-4-yl)methylamino]piperidine-1-carboxylate
CID 170459926
benzyl 3-(bromomethyl)piperidine-1-carboxylate
CID 23000675
benzyl (1R,7S)-8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 89171157

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(methylamino)piperidine-1-carboxylate?
The IUPAC name of benzyl 3-(methylamino)piperidine-1-carboxylate (CID 45072221) is benzyl 3-(methylamino)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(methylamino)piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-(methylamino)piperidine-1-carboxylate is CNC1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-(methylamino)piperidine-1-carboxylate?
The InChIKey is NTHKMYRCEUJLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-13-8-5-9-16(10-13)14(17)18-11-12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11H2,1H3.
What are the key properties of benzyl 3-(methylamino)piperidine-1-carboxylate?
benzyl 3-(methylamino)piperidine-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(methylamino)piperidine-1-carboxylate is sourced from PubChem (CID 45072221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).