2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid

C13H20N4O2 — CID 64662975

IUPAC2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCN(c2ccc(N)cn2)CC1
InChIInChI=1S/C13H20N4O2/c1-2-11(13(18)19)16-5-7-17(8-6-16)12-4-3-10(14)9-15-12/h3-4,9,11H,2,5-8,14H2,1H3,(H,18,19)
InChIKeyIJFDSXPPNXAMIT-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.65
Rot. Bonds4

About 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid

2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid (PubChem CID 64662975) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid
PubChem CID64662975
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCN(c2ccc(N)cn2)CC1
InChIInChI=1S/C13H20N4O2/c1-2-11(13(18)19)16-5-7-17(8-6-16)12-4-3-10(14)9-15-12/h3-4,9,11H,2,5-8,14H2,1H3,(H,18,19)
InChIKeyIJFDSXPPNXAMIT-UHFFFAOYSA-N
XLogP0.65
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide
CID 79159197
ethyl 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]acetate
CID 43462036
1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one
CID 43461986
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butanethioamide
CID 63342498
1-[4-(5-amino-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55004594
3-[4-(5-amino-2-pyridinyl)piperazin-1-yl]benzoic acid
CID 141266072
6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridin-3-amine
CID 60922049
2-(5-amino-2-pyridinyl)butanoic acid
CID 67099005
1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 43462000
ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate
CID 144600760
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 94781788
6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine
CID 82840203

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid?
The IUPAC name of 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid (CID 64662975) is 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid is CCC(C(=O)O)N1CCN(c2ccc(N)cn2)CC1.
What is the InChIKey of 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid?
The InChIKey is IJFDSXPPNXAMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-11(13(18)19)16-5-7-17(8-6-16)12-4-3-10(14)9-15-12/h3-4,9,11H,2,5-8,14H2,1H3,(H,18,19).
What are the key properties of 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid?
2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid has a molecular weight of 264.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 64662975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).