tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate

C16H25N3O2 — CID 146402292

IUPACtert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate
SMILESCc1ncccc1[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N
InChIInChI=1S/C16H25N3O2/c1-11-12(6-5-8-18-11)13-10-19(9-7-14(13)17)15(20)21-16(2,3)4/h5-6,8,13-14H,7,9-10,17H2,1-4H3/t13-,14+/m0/s1
InChIKeyFMPSCCIWERSSGB-UONOGXRCSA-N
MW291.39 g/mol
LogP2.44
Rot. Bonds1

About tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate

tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate (PubChem CID 146402292) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate
PubChem CID146402292
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate
SMILESCc1ncccc1[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N
InChIInChI=1S/C16H25N3O2/c1-11-12(6-5-8-18-11)13-10-19(9-7-14(13)17)15(20)21-16(2,3)4/h5-6,8,13-14H,7,9-10,17H2,1-4H3/t13-,14+/m0/s1
InChIKeyFMPSCCIWERSSGB-UONOGXRCSA-N
XLogP2.44
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,4S)-3-amino-4-(2-methylphenyl)piperidine-1-carboxylate
CID 39872168
tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate
CID 58356142
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
tert-butyl (3R)-3-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 97351178
tert-butyl (3S)-3-amino-4-(2-fluorophenyl)pyrrolidine-1-carboxylate
CID 67135442
tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 71700032
tert-butyl (3S,4S)-4-amino-3-(3-methoxyphenyl)piperidine-1-carboxylate
CID 99943446
tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate
CID 97357623
tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 129493540
1-O-tert-butyl 3-O-(triazolo[4,5-b]pyridin-3-yl) (3S,4S)-4-aminopiperidine-1,3-dicarboxylate
CID 88579104
tert-butyl (3S,4R)-3-hydroxy-4-(2-methylphenyl)piperidine-1-carboxylate
CID 95566698
tert-butyl (3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 97102850

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate (CID 146402292) is tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate is Cc1ncccc1[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N.
What is the InChIKey of tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate?
The InChIKey is FMPSCCIWERSSGB-UONOGXRCSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-12(6-5-8-18-11)13-10-19(9-7-14(13)17)15(20)21-16(2,3)4/h5-6,8,13-14H,7,9-10,17H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate?
tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 146402292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).