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

C16H24N2O2 — CID 65055622

IUPAC3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid
SMILESCC(Cc1ccccc1)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C16H24N2O2/c1-14(13-15-5-3-2-4-6-15)18-11-9-17(10-12-18)8-7-16(19)20/h2-6,14H,7-13H2,1H3,(H,19,20)
InChIKeyBSGKNSAJMOQKLY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.71
Rot. Bonds6

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

3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid (PubChem CID 65055622) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid
PubChem CID65055622
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid
SMILESCC(Cc1ccccc1)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C16H24N2O2/c1-14(13-15-5-3-2-4-6-15)18-11-9-17(10-12-18)8-7-16(19)20/h2-6,14H,7-13H2,1H3,(H,19,20)
InChIKeyBSGKNSAJMOQKLY-UHFFFAOYSA-N
XLogP1.71
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-phenylpropan-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 65061746
4-[2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethyl]morpholine
CID 123753899
1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
CID 110399548
1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936
3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 65055236
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
1-[(2R)-1-phenylpropan-2-yl]piperidin-4-ol
CID 129494382
3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 65055428
4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957
3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 43396140
bis(3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid);hydrate
CID 156599366
3-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 65053931

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid (CID 65055622) is 3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid is CC(Cc1ccccc1)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid?
The InChIKey is BSGKNSAJMOQKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-14(13-15-5-3-2-4-6-15)18-11-9-17(10-12-18)8-7-16(19)20/h2-6,14H,7-13H2,1H3,(H,19,20).
What are the key properties of 3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid?
3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid has a molecular weight of 276.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 65055622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).