benzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate

C15H22N2O2 — CID 125117276

IUPACbenzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CC[C@@H](CN)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-12-7-8-14(9-16)17(10-12)15(18)19-11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3/t12-,14+/m1/s1
InChIKeyVVQLVEABNKBPKW-OCCSQVGLSA-N
MW262.35 g/mol
LogP2.38
Rot. Bonds3

About benzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate

benzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate (PubChem CID 125117276) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate
PubChem CID125117276
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CC[C@@H](CN)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-12-7-8-14(9-16)17(10-12)15(18)19-11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3/t12-,14+/m1/s1
InChIKeyVVQLVEABNKBPKW-OCCSQVGLSA-N
XLogP2.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-(aminomethyl)-4-sulfanylpyrrolidine-1-carboxylate
CID 150434246
benzyl 3-(aminomethyl)-2-methylazetidine-1-carboxylate
CID 131028084
benzyl (2R,5S)-5-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 124523421
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl (2S,4R)-2-(aminomethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylate
CID 68862962
benzyl (2S)-2-(chloromethyl)aziridine-1-carboxylate
CID 176637455
1-O-benzyl 3-O-methyl 6-ethylpiperidine-1,3-dicarboxylate
CID 67044013
benzyl (2R,3S)-3-amino-2-methylazetidine-1-carboxylate
CID 170915415
1-O-benzyl 3-O-methyl (3R,6S)-6-(hydroxymethyl)piperidine-1,3-dicarboxylate
CID 71225946
(2S,4R,5R)-2,5-dimethyl-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 178194460
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl (2S,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97112056

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate?
The IUPAC name of benzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate (CID 125117276) is benzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate?
The canonical SMILES for benzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate is C[C@@H]1CC[C@@H](CN)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate?
The InChIKey is VVQLVEABNKBPKW-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-7-8-14(9-16)17(10-12)15(18)19-11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3/t12-,14+/m1/s1.
What are the key properties of benzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate?
benzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate is sourced from PubChem (CID 125117276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).