2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate

C13H18N2O2 — CID 86319343

IUPAC2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate
SMILESO=C(OCC[C@@H]1CCCCN1)c1ccncc1
InChIInChI=1S/C13H18N2O2/c16-13(11-4-8-14-9-5-11)17-10-6-12-3-1-2-7-15-12/h4-5,8-9,12,15H,1-3,6-7,10H2/t12-/m0/s1
InChIKeyGUZALBXUKMEQBD-LBPRGKRZSA-N
MW234.30 g/mol
LogP1.77
Rot. Bonds4

About 2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate

2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate (PubChem CID 86319343) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate.

Molecular Properties

Compound Name2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate
PubChem CID86319343
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate
SMILESO=C(OCC[C@@H]1CCCCN1)c1ccncc1
InChIInChI=1S/C13H18N2O2/c16-13(11-4-8-14-9-5-11)17-10-6-12-3-1-2-7-15-12/h4-5,8-9,12,15H,1-3,6-7,10H2/t12-/m0/s1
InChIKeyGUZALBXUKMEQBD-LBPRGKRZSA-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-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride
CID 73013054
2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate
CID 86319798
ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride
CID 56829802
2-(2-piperidin-2-ylethoxy)pyridine-4-carboxamide
CID 62347860
2-(2-piperidin-2-ylethoxy)pyridine-3-carboxamide
CID 62347441
benzyl 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoate
CID 86321634
2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate
CID 86319530
2-[(2R)-piperidin-2-yl]ethyl cyclopentanecarboxylate
CID 86319749
4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005
2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone
CID 97165766
N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818
2-(2-pyridin-4-ylethyl)azepane
CID 104703875

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate?
The IUPAC name of 2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate (CID 86319343) is 2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate.
What is the SMILES notation for 2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate?
The canonical SMILES for 2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate is O=C(OCC[C@@H]1CCCCN1)c1ccncc1.
What is the InChIKey of 2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate?
The InChIKey is GUZALBXUKMEQBD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(11-4-8-14-9-5-11)17-10-6-12-3-1-2-7-15-12/h4-5,8-9,12,15H,1-3,6-7,10H2/t12-/m0/s1.
What are the key properties of 2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate?
2-[(2S)-piperidin-2-yl]ethyl pyridine-4-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-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate is sourced from PubChem (CID 86319343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).