3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid

C14H21N3O2 — CID 65055236

IUPAC3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
SMILESCC(c1ccccn1)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C14H21N3O2/c1-12(13-4-2-3-6-15-13)17-10-8-16(9-11-17)7-5-14(18)19/h2-4,6,12H,5,7-11H2,1H3,(H,18,19)
InChIKeyDUZKEACMEWXMHF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.23
Rot. Bonds5

About 3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid

3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid (PubChem CID 65055236) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
PubChem CID65055236
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
SMILESCC(c1ccccn1)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C14H21N3O2/c1-12(13-4-2-3-6-15-13)17-10-8-16(9-11-17)7-5-14(18)19/h2-4,6,12H,5,7-11H2,1H3,(H,18,19)
InChIKeyDUZKEACMEWXMHF-UHFFFAOYSA-N
XLogP1.23
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid
CID 65055730
3-oxo-3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 110480160
3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid
CID 65055622
3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 65055428
3-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 65053931
N-(4-methylsulfanylbutan-2-yl)-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75478310
N-[(2S)-4-methylsulfanylbutan-2-yl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 97308528
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid
CID 66435102
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 55057978
2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 75507878
(1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 91660636

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid (CID 65055236) is 3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid is CC(c1ccccn1)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid?
The InChIKey is DUZKEACMEWXMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-12(13-4-2-3-6-15-13)17-10-8-16(9-11-17)7-5-14(18)19/h2-4,6,12H,5,7-11H2,1H3,(H,18,19).
What are the key properties of 3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid?
3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 65055236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).