1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid

C17H24N2O2 — CID 117466051

IUPAC1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCN1CCN(CCc2ccc(C3(C(=O)O)CC3)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-18-10-12-19(13-11-18)9-6-14-2-4-15(5-3-14)17(7-8-17)16(20)21/h2-5H,6-13H2,1H3,(H,20,21)
InChIKeyRUTKKMWWFFAAIJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.59
Rot. Bonds5

About 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 117466051) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID117466051
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCN1CCN(CCc2ccc(C3(C(=O)O)CC3)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-18-10-12-19(13-11-18)9-6-14-2-4-15(5-3-14)17(7-8-17)16(20)21/h2-5H,6-13H2,1H3,(H,20,21)
InChIKeyRUTKKMWWFFAAIJ-UHFFFAOYSA-N
XLogP1.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 117440559
1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117463972
2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid
CID 117487334
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
CID 139348467
1-[2-[4-(1-isocyanatocyclobutyl)phenyl]ethyl]-4-methylpiperazine
CID 117482469
1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine
CID 134846491
1-[4-(2-methylsulfonylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117114132
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine
CID 143042806
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid
CID 10037618
1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117485692

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid (CID 117466051) is 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid is CN1CCN(CCc2ccc(C3(C(=O)O)CC3)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is RUTKKMWWFFAAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-10-12-19(13-11-18)9-6-14-2-4-15(5-3-14)17(7-8-17)16(20)21/h2-5H,6-13H2,1H3,(H,20,21).
What are the key properties of 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117466051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).