2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid

C11H14N2O2 — CID 97046760

IUPAC2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc([C@@H]2CCCCN2)c1
InChIInChI=1S/C11H14N2O2/c14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9/h4,6-7,9,12H,1-3,5H2,(H,14,15)/t9-/m0/s1
InChIKeyHPNASEMLAARCIE-VIFPVBQESA-N
MW206.25 g/mol
LogP1.59
Rot. Bonds2

About 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid

2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid (PubChem CID 97046760) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid
PubChem CID97046760
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc([C@@H]2CCCCN2)c1
InChIInChI=1S/C11H14N2O2/c14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9/h4,6-7,9,12H,1-3,5H2,(H,14,15)/t9-/m0/s1
InChIKeyHPNASEMLAARCIE-VIFPVBQESA-N
XLogP1.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylate
CID 131408297
2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid
CID 97033317
2-pyrrolidin-3-ylpyridine-4-carboxylic acid
CID 115018963
4-fluoro-2-[(2R)-pyrrolidin-2-yl]pyridine
CID 130713831
(2-pyrrolidin-2-yl-4-pyridinyl)methanol
CID 55292390
4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid
CID 124993884
3-piperidin-2-ylisoquinoline
CID 84782420
2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid
CID 82384588
4-ethyl-2-pyrrolidin-2-ylpyridine
CID 115009302
6-piperidin-2-yl-1H-pyrimidin-2-one
CID 83846397
3-chloro-4-[(2R)-pyrrolidin-2-yl]benzoic acid
CID 66519198
2-[(3S)-oxolan-3-yl]pyridine-4-carboxylic acid
CID 99934799

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid (CID 97046760) is 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc([C@@H]2CCCCN2)c1.
What is the InChIKey of 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid?
The InChIKey is HPNASEMLAARCIE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9/h4,6-7,9,12H,1-3,5H2,(H,14,15)/t9-/m0/s1.
What are the key properties of 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid?
2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 97046760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).