methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate

C12H16N2O2 — CID 133326705

IUPACmethyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)10-5-4-8-14(9-10)11-6-2-3-7-13-11/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m0/s1
InChIKeyUQQNIRRKYROBIJ-JTQLQIEISA-N
MW220.27 g/mol
LogP1.47
Rot. Bonds2

About methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate

methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate (PubChem CID 133326705) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
PubChem CID133326705
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)10-5-4-8-14(9-10)11-6-2-3-7-13-11/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m0/s1
InChIKeyUQQNIRRKYROBIJ-JTQLQIEISA-N
XLogP1.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113331246
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419
[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 95583532
(1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate
CID 166270436
(3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 95204110
methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
CID 115538439
[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95583542
(3R)-N-(3,5-dimethylphenyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 51962224
methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 115538400
(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94824323

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate (CID 133326705) is methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate is COC(=O)[C@H]1CCCN(c2ccccn2)C1.
What is the InChIKey of methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate?
The InChIKey is UQQNIRRKYROBIJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12(15)10-5-4-8-14(9-10)11-6-2-3-7-13-11/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m0/s1.
What are the key properties of methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate?
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate is sourced from PubChem (CID 133326705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).