(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid

C11H15N3O2 — CID 93409129

IUPAC(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
SMILESO=C(O)[C@H](c1cccnc1)N1CCNCC1
InChIInChI=1S/C11H15N3O2/c15-11(16)10(9-2-1-3-13-8-9)14-6-4-12-5-7-14/h1-3,8,10,12H,4-7H2,(H,15,16)/t10-/m0/s1
InChIKeyDXQHDXOXITZKEY-JTQLQIEISA-N
MW221.26 g/mol
LogP0.11
Rot. Bonds3

About (2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid

(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid (PubChem CID 93409129) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
PubChem CID93409129
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
SMILESO=C(O)[C@H](c1cccnc1)N1CCNCC1
InChIInChI=1S/C11H15N3O2/c15-11(16)10(9-2-1-3-13-8-9)14-6-4-12-5-7-14/h1-3,8,10,12H,4-7H2,(H,15,16)/t10-/m0/s1
InChIKeyDXQHDXOXITZKEY-JTQLQIEISA-N
XLogP0.11
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid
CID 104822558
2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245
2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone
CID 82509337
1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol
CID 82286657
2-(4-bromophenyl)-2-piperazin-1-ylacetic acid
CID 11145832
1-[(1S)-1-pyridin-3-ylpropyl]piperazine
CID 92764058
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
1-[(1S)-2,2-difluoro-1-pyridin-3-ylethyl]piperazine;dihydrochloride
CID 171287666
1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride
CID 171287672
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride
CID 171275055

Frequently Asked Questions

What is the IUPAC name of (2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid?
The IUPAC name of (2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid (CID 93409129) is (2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid.
What is the SMILES notation for (2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid?
The canonical SMILES for (2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid is O=C(O)[C@H](c1cccnc1)N1CCNCC1.
What is the InChIKey of (2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid?
The InChIKey is DXQHDXOXITZKEY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)10(9-2-1-3-13-8-9)14-6-4-12-5-7-14/h1-3,8,10,12H,4-7H2,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid?
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid has a molecular weight of 221.26 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 93409129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).