tert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate

C15H22N2O2 — CID 51041871

IUPACtert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-5-4-8-13(17)12-7-6-9-16-11-12/h6-7,9,11,13H,4-5,8,10H2,1-3H3/t13-/m0/s1
InChIKeyQNCDRZOVLOOHOP-ZDUSSCGKSA-N
MW262.35 g/mol
LogP3.54
Rot. Bonds1

About tert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate

tert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate (PubChem CID 51041871) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate
PubChem CID51041871
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-5-4-8-13(17)12-7-6-9-16-11-12/h6-7,9,11,13H,4-5,8,10H2,1-3H3/t13-/m0/s1
InChIKeyQNCDRZOVLOOHOP-ZDUSSCGKSA-N
XLogP3.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Nitroso-2-piperidinyl)pyridine
CID 14335
1-Methyl-2-(3-pyridyl)piperidine
CID 29758
N-Acetylnornicotine
CID 165384
3-((2S)-1-Methyl-2-piperidinyl)pyridine
CID 927709
N-Nitrosoanabasine
CID 7069270
Deschloro Loratadine
CID 12884174
3,3-dimethyl-1-[(2S)-2-[6-(pyridin-3-yl)hexanoyl]piperidin-1-yl]pentane-1,2-dione
CID 11069110
3-[(2-Methylpiperidin-1-yl)methyl]pyridine;oxalic acid
CID 16195079
9-Methyl-3-(pyridin-3-yl)-9-azabicyclo[3.3.1]non-2-ene
CID 22463282
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(dipyridin-3-ylmethyl)piperazine-1-carboxylate
CID 71656799
(2S)-1-Methyl-1,2,3,6-tetrahydro-2,3'-bipyridine
CID 15521626
N'-Formylanatabine
CID 14241041

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate (CID 51041871) is tert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1.
What is the InChIKey of tert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate?
The InChIKey is QNCDRZOVLOOHOP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-5-4-8-13(17)12-7-6-9-16-11-12/h6-7,9,11,13H,4-5,8,10H2,1-3H3/t13-/m0/s1.
What are the key properties of tert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate?
tert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate is sourced from PubChem (CID 51041871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).