2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate

C13H18N2O2 — CID 86319798

IUPAC2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate
SMILESO=C(OCC[C@H]1CCCCN1)c1cccnc1
InChIInChI=1S/C13H18N2O2/c16-13(11-4-3-7-14-10-11)17-9-6-12-5-1-2-8-15-12/h3-4,7,10,12,15H,1-2,5-6,8-9H2/t12-/m1/s1
InChIKeyCTODUQLVPPWIBW-GFCCVEGCSA-N
MW234.30 g/mol
LogP1.77
Rot. Bonds4

About 2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate

2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate (PubChem CID 86319798) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate.

Molecular Properties

Compound Name2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate
PubChem CID86319798
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate
SMILESO=C(OCC[C@H]1CCCCN1)c1cccnc1
InChIInChI=1S/C13H18N2O2/c16-13(11-4-3-7-14-10-11)17-9-6-12-5-1-2-8-15-12/h3-4,7,10,12,15H,1-2,5-6,8-9H2/t12-/m1/s1
InChIKeyCTODUQLVPPWIBW-GFCCVEGCSA-N
XLogP1.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate
CID 86319343
2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride
CID 73013054
3-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 56830402
2-(2-piperidin-2-ylethoxy)pyridine-3-carboxamide
CID 62347441
2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate
CID 86319530
3-piperidin-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62209973
methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86321177
N-(cyclopropylmethyl)-2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608618
2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone
CID 97165766
N-methyl-2-piperidin-2-yl-N-(2-pyridin-3-ylethyl)ethanamine
CID 115211208
benzyl 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoate
CID 86321634
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate?
The IUPAC name of 2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate (CID 86319798) is 2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate.
What is the SMILES notation for 2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate?
The canonical SMILES for 2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate is O=C(OCC[C@H]1CCCCN1)c1cccnc1.
What is the InChIKey of 2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate?
The InChIKey is CTODUQLVPPWIBW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(11-4-3-7-14-10-11)17-9-6-12-5-1-2-8-15-12/h3-4,7,10,12,15H,1-2,5-6,8-9H2/t12-/m1/s1.
What are the key properties of 2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate?
2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate is sourced from PubChem (CID 86319798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).