2-benzyl-2-piperazin-1-ylbutanoic acid

C15H22N2O2 — CID 79008570

IUPAC2-benzyl-2-piperazin-1-ylbutanoic acid
SMILESCCC(Cc1ccccc1)(C(=O)O)N1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-2-15(14(18)19,17-10-8-16-9-11-17)12-13-6-4-3-5-7-13/h3-7,16H,2,8-12H2,1H3,(H,18,19)
InChIKeyBTNFSXYYVPSYAM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.37
Rot. Bonds5

About 2-benzyl-2-piperazin-1-ylbutanoic acid

2-benzyl-2-piperazin-1-ylbutanoic acid (PubChem CID 79008570) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-benzyl-2-piperazin-1-ylbutanoic acid.

Molecular Properties

Compound Name2-benzyl-2-piperazin-1-ylbutanoic acid
PubChem CID79008570
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-benzyl-2-piperazin-1-ylbutanoic acid
SMILESCCC(Cc1ccccc1)(C(=O)O)N1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-2-15(14(18)19,17-10-8-16-9-11-17)12-13-6-4-3-5-7-13/h3-7,16H,2,8-12H2,1H3,(H,18,19)
InChIKeyBTNFSXYYVPSYAM-UHFFFAOYSA-N
XLogP1.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid
CID 82239792
2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446443
2-benzyl-2-methoxy-1-(4-piperazin-1-ylphenyl)butan-1-one
CID 142633495
2-(1,4-diazepan-1-yl)-3-(4-fluorophenyl)-2-methylpropanoic acid
CID 114832067
2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide
CID 80547453
2-benzyl-2-hydroxybutanoic acid
CID 22013212
2-amino-2-benzylpentanoic acid
CID 24974249
1-(1,4-diazepan-1-yl)-2-ethyl-2-phenylbutan-1-one;hydrochloride
CID 119415836
2,2-dimethyl-3-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120811075
2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one
CID 174680761
3-(2-amino-2-piperazin-1-ylpropyl)phenol
CID 84748340
lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride
CID 174967849

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-piperazin-1-ylbutanoic acid?
The IUPAC name of 2-benzyl-2-piperazin-1-ylbutanoic acid (CID 79008570) is 2-benzyl-2-piperazin-1-ylbutanoic acid.
What is the SMILES notation for 2-benzyl-2-piperazin-1-ylbutanoic acid?
The canonical SMILES for 2-benzyl-2-piperazin-1-ylbutanoic acid is CCC(Cc1ccccc1)(C(=O)O)N1CCNCC1.
What is the InChIKey of 2-benzyl-2-piperazin-1-ylbutanoic acid?
The InChIKey is BTNFSXYYVPSYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-15(14(18)19,17-10-8-16-9-11-17)12-13-6-4-3-5-7-13/h3-7,16H,2,8-12H2,1H3,(H,18,19).
What are the key properties of 2-benzyl-2-piperazin-1-ylbutanoic acid?
2-benzyl-2-piperazin-1-ylbutanoic acid has a molecular weight of 262.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-piperazin-1-ylbutanoic acid is sourced from PubChem (CID 79008570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).