2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid

C15H20N2O2 — CID 117038247

IUPAC2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H20N2O2/c18-15(19)13-10-14(13)17-8-6-16(7-9-17)11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,19)
InChIKeyDRPAOHCMRSRIRX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.28
Rot. Bonds4

About 2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid

2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid (PubChem CID 117038247) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid
PubChem CID117038247
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H20N2O2/c18-15(19)13-10-14(13)17-8-6-16(7-9-17)11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,19)
InChIKeyDRPAOHCMRSRIRX-UHFFFAOYSA-N
XLogP1.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80996804
1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid
CID 17385176
1-benzyl-5-hydroxyazepane-4-carboxylic acid
CID 83488362
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 69053980
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270
(1S,6S)-6-(4-benzylpiperazine-1-carbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 1149453
(1S,2S,3R,4R)-3-(4-benzylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51012041
(3R,4S)-1-benzyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrrolidine-3-carboxylic acid
CID 6559132

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid (CID 117038247) is 2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid?
The InChIKey is DRPAOHCMRSRIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(19)13-10-14(13)17-8-6-16(7-9-17)11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,19).
What are the key properties of 2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid?
2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117038247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).