(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid

C12H16N2O2 — CID 95359616

IUPAC(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
SMILESO=C(O)[C@@H](c1ccncc1)N1CCCCC1
InChIInChI=1S/C12H16N2O2/c15-12(16)11(10-4-6-13-7-5-10)14-8-2-1-3-9-14/h4-7,11H,1-3,8-9H2,(H,15,16)/t11-/m1/s1
InChIKeyPLKDAEQFQNZXRH-LLVKDONJSA-N
MW220.27 g/mol
LogP1.69
Rot. Bonds3

About (2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid

(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid (PubChem CID 95359616) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
PubChem CID95359616
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
SMILESO=C(O)[C@@H](c1ccncc1)N1CCCCC1
InChIInChI=1S/C12H16N2O2/c15-12(16)11(10-4-6-13-7-5-10)14-8-2-1-3-9-14/h4-7,11H,1-3,8-9H2,(H,15,16)/t11-/m1/s1
InChIKeyPLKDAEQFQNZXRH-LLVKDONJSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one
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2-morpholin-4-yl-2-pyridin-4-ylacetamide
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(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid
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2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
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(2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid
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4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid
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2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
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2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid
CID 106531817

Frequently Asked Questions

What is the IUPAC name of (2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid?
The IUPAC name of (2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid (CID 95359616) is (2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid.
What is the SMILES notation for (2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid?
The canonical SMILES for (2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid is O=C(O)[C@@H](c1ccncc1)N1CCCCC1.
What is the InChIKey of (2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid?
The InChIKey is PLKDAEQFQNZXRH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(16)11(10-4-6-13-7-5-10)14-8-2-1-3-9-14/h4-7,11H,1-3,8-9H2,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid?
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid has a molecular weight of 220.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid is sourced from PubChem (CID 95359616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).