ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate

C15H22N2O2 — CID 175512442

IUPACethyl (2S)-5-(benzylamino)piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCC(NCc2ccccc2)CN1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(18)14-9-8-13(11-17-14)16-10-12-6-4-3-5-7-12/h3-7,13-14,16-17H,2,8-11H2,1H3/t13?,14-/m0/s1
InChIKeyCORFILTVOKNWJC-KZUDCZAMSA-N
MW262.35 g/mol
LogP1.46
Rot. Bonds5

About ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate

ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate (PubChem CID 175512442) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-5-(benzylamino)piperidine-2-carboxylate
PubChem CID175512442
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl (2S)-5-(benzylamino)piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCC(NCc2ccccc2)CN1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(18)14-9-8-13(11-17-14)16-10-12-6-4-3-5-7-12/h3-7,13-14,16-17H,2,8-11H2,1H3/t13?,14-/m0/s1
InChIKeyCORFILTVOKNWJC-KZUDCZAMSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 134692711
5-(benzylamino)piperidine-2-carboxylic acid
CID 175512440
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 70673934
ethyl 4-(benzylamino)-1-methylcyclohexane-1-carboxylate
CID 118993829
ethyl (2S,4S)-4-(benzylamino)oxane-2-carboxylate
CID 171371464
benzyl (2R,5S)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid
CID 175022601
ethyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 153349946
methyl 3-(benzylamino)cyclopentane-1-carboxylate
CID 67382791
methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate
CID 54515313
bis[(2R,5R)-5-(phenylmethoxyamino)piperidine-2-carbonyl] oxalate
CID 175028202
tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 76534506
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide;dihydrochloride
CID 156834463

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate (CID 175512442) is ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate is CCOC(=O)[C@@H]1CCC(NCc2ccccc2)CN1.
What is the InChIKey of ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate?
The InChIKey is CORFILTVOKNWJC-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-19-15(18)14-9-8-13(11-17-14)16-10-12-6-4-3-5-7-12/h3-7,13-14,16-17H,2,8-11H2,1H3/t13?,14-/m0/s1.
What are the key properties of ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate?
ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate is sourced from PubChem (CID 175512442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).