(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid

C12H16ClN3O2 — CID 94781788

IUPAC(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C12H16ClN3O2/c1-9(12(17)18)15-4-6-16(7-5-15)11-3-2-10(13)8-14-11/h2-3,8-9H,4-7H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyHFOVDHVRNRUFRC-SECBINFHSA-N
MW269.73 g/mol
LogP1.33
Rot. Bonds3

About (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid

(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid (PubChem CID 94781788) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
PubChem CID94781788
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C12H16ClN3O2/c1-9(12(17)18)15-4-6-16(7-5-15)11-3-2-10(13)8-14-11/h2-3,8-9H,4-7H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyHFOVDHVRNRUFRC-SECBINFHSA-N
XLogP1.33
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
CID 95587281
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 72900257
2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid
CID 62311866
1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine
CID 15951315
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide
CID 60593128
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone
CID 72577389
6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053320
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 55203317
[4-(1-aminoethyl)phenyl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 166238468
4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide
CID 75464207
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butanethioamide
CID 63342498

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid (CID 94781788) is (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid is C[C@H](C(=O)O)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid?
The InChIKey is HFOVDHVRNRUFRC-SECBINFHSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-9(12(17)18)15-4-6-16(7-5-15)11-3-2-10(13)8-14-11/h2-3,8-9H,4-7H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid?
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid has a molecular weight of 269.73 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 94781788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).