tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate

C15H23N3O2 — CID 97357623

IUPACtert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](c2ccncc2)[C@@H](N)C1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-9-6-12(13(16)10-18)11-4-7-17-8-5-11/h4-5,7-8,12-13H,6,9-10,16H2,1-3H3/t12-,13+/m1/s1
InChIKeyAGHANFLAWQUQJX-OLZOCXBDSA-N
MW277.37 g/mol
LogP2.13
Rot. Bonds1

About tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate

tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate (PubChem CID 97357623) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate
PubChem CID97357623
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](c2ccncc2)[C@@H](N)C1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-9-6-12(13(16)10-18)11-4-7-17-8-5-11/h4-5,7-8,12-13H,6,9-10,16H2,1-3H3/t12-,13+/m1/s1
InChIKeyAGHANFLAWQUQJX-OLZOCXBDSA-N
XLogP2.13
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,4R)-3-amino-4-(4-methoxyphenyl)piperidine-1-carboxylate
CID 39872159
tert-butyl (3S,4R)-3-amino-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 39872120
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl (3R,4S)-3-amino-4-(3,5-dimethylphenyl)piperidine-1-carboxylate
CID 95566717
tert-butyl (3S,4S)-3-amino-4-(3,5-dimethylphenyl)piperidine-1-carboxylate
CID 95566719
tert-butyl (3R,4R)-3-amino-4-(3,4-dimethoxyphenyl)piperidine-1-carboxylate
CID 95566662
tert-butyl (3R,4S)-3-amino-4-(3-methylphenyl)piperidine-1-carboxylate
CID 39872174
tert-butyl (3S,4R)-3-amino-4-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxylate
CID 95566620
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl (3S,4S)-3-amino-4-(2-methylphenyl)piperidine-1-carboxylate
CID 39872168
tert-butyl (3S,4S)-3-amino-4-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate
CID 129387404
tert-butyl (3S,4R)-3-amino-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 39872224

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate (CID 97357623) is tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](c2ccncc2)[C@@H](N)C1.
What is the InChIKey of tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate?
The InChIKey is AGHANFLAWQUQJX-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-9-6-12(13(16)10-18)11-4-7-17-8-5-11/h4-5,7-8,12-13H,6,9-10,16H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate?
tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.13, 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)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate is sourced from PubChem (CID 97357623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).