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

C14H27N3O2 — CID 62312460

IUPAC2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C14H27N3O2/c1-13(14(18)19)17-11-9-16(10-12-17)8-7-15-5-3-2-4-6-15/h13H,2-12H2,1H3,(H,18,19)
InChIKeyGMJOZHPMTFTGHJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.56
Rot. Bonds5

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

2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid (PubChem CID 62312460) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
PubChem CID62312460
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C14H27N3O2/c1-13(14(18)19)17-11-9-16(10-12-17)8-7-15-5-3-2-4-6-15/h13H,2-12H2,1H3,(H,18,19)
InChIKeyGMJOZHPMTFTGHJ-UHFFFAOYSA-N
XLogP0.56
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid
CID 80695764
2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 62309673
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 62309888
2-(4-nonylpiperazin-1-yl)propanoic acid
CID 62310084
(2S)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]propanoic acid
CID 94397150
2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 45074903
(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 127263393
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62310681
2-(4-prop-2-ynylpiperazin-1-yl)propanoic acid
CID 62311285
2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]propanoic acid
CID 114525897
2-methyl-3-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 82323085
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid (CID 62312460) is 2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(CCN2CCCCC2)CC1.
What is the InChIKey of 2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid?
The InChIKey is GMJOZHPMTFTGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-13(14(18)19)17-11-9-16(10-12-17)8-7-15-5-3-2-4-6-15/h13H,2-12H2,1H3,(H,18,19).
What are the key properties of 2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid?
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid has a molecular weight of 269.39 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62312460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).