ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate

C20H25N3O2 — CID 137470952

IUPACethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(N)C1Cc1cccc(-c2ccccc2)n1
InChIInChI=1S/C20H25N3O2/c1-2-25-20(24)23-13-7-11-17(21)19(23)14-16-10-6-12-18(22-16)15-8-4-3-5-9-15/h3-6,8-10,12,17,19H,2,7,11,13-14,21H2,1H3
InChIKeyXFJMDPWVJNFWFE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.24
Rot. Bonds4

About ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate

ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate (PubChem CID 137470952) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate
PubChem CID137470952
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Nameethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(N)C1Cc1cccc(-c2ccccc2)n1
InChIInChI=1S/C20H25N3O2/c1-2-25-20(24)23-13-7-11-17(21)19(23)14-16-10-6-12-18(22-16)15-8-4-3-5-9-15/h3-6,8-10,12,17,19H,2,7,11,13-14,21H2,1H3
InChIKeyXFJMDPWVJNFWFE-UHFFFAOYSA-N
XLogP3.24
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid
CID 154960189
1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 137471006
(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 137461285
propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate
CID 137460858
cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137470985
1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 137471009
methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137470993
ethyl (2R,3R)-2-[(2-fluoro-3-phenylphenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate
CID 137461392
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate
CID 67432326
ethyl 2-(2-phenylethynyl)pyrrolidine-1-carboxylate
CID 11042949
[3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 137471114

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate (CID 137470952) is ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate is CCOC(=O)N1CCCC(N)C1Cc1cccc(-c2ccccc2)n1.
What is the InChIKey of ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate?
The InChIKey is XFJMDPWVJNFWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-25-20(24)23-13-7-11-17(21)19(23)14-16-10-6-12-18(22-16)15-8-4-3-5-9-15/h3-6,8-10,12,17,19H,2,7,11,13-14,21H2,1H3.
What are the key properties of ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate?
ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 137470952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).