methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate

C12H17N3O2 — CID 113368331

IUPACmethyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ccnc(N)c1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)10-4-2-3-7-15(10)9-5-6-14-11(13)8-9/h5-6,8,10H,2-4,7H2,1H3,(H2,13,14)
InChIKeyLTHXBNASNAKYLL-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.20
Rot. Bonds2

About methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate

methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate (PubChem CID 113368331) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate
PubChem CID113368331
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ccnc(N)c1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)10-4-2-3-7-15(10)9-5-6-14-11(13)8-9/h5-6,8,10H,2-4,7H2,1H3,(H2,13,14)
InChIKeyLTHXBNASNAKYLL-UHFFFAOYSA-N
XLogP1.20
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(2-amino-4-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62471193
methyl 1-(4-methylsulfonylphenyl)piperidine-2-carboxylate
CID 115538364
methyl 1-(6-carbamothioyl-3-pyridinyl)piperidine-2-carboxylate
CID 115534797
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
CID 115538344
methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate
CID 96706511
3-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]benzoic acid
CID 96706561
methyl 1-(4-cyanophenyl)piperidine-2-carboxylate
CID 113330492
methyl 1-(4-carbamothioyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 43473975
methyl (2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylate
CID 96706526
methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
CID 115538351
methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate
CID 66284729

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate (CID 113368331) is methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1ccnc(N)c1.
What is the InChIKey of methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate?
The InChIKey is LTHXBNASNAKYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-12(16)10-4-2-3-7-15(10)9-5-6-14-11(13)8-9/h5-6,8,10H,2-4,7H2,1H3,(H2,13,14).
What are the key properties of methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate?
methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate is sourced from PubChem (CID 113368331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).