2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid

C18H26N2O2 — CID 117487334

IUPAC2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid
SMILESCN1CCN(CCc2ccc(C3(CC(=O)O)CC3)cc2)CC1
InChIInChI=1S/C18H26N2O2/c1-19-10-12-20(13-11-19)9-6-15-2-4-16(5-3-15)18(7-8-18)14-17(21)22/h2-5H,6-14H2,1H3,(H,21,22)
InChIKeyWNUNUZJETSMYEI-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.98
Rot. Bonds6

About 2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid

2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid (PubChem CID 117487334) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid
PubChem CID117487334
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid
SMILESCN1CCN(CCc2ccc(C3(CC(=O)O)CC3)cc2)CC1
InChIInChI=1S/C18H26N2O2/c1-19-10-12-20(13-11-19)9-6-15-2-4-16(5-3-15)18(7-8-18)14-17(21)22/h2-5H,6-14H2,1H3,(H,21,22)
InChIKeyWNUNUZJETSMYEI-UHFFFAOYSA-N
XLogP1.98
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid
CID 117466059
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid
CID 117466051
2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid
CID 117344925
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787396
2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
CID 117365326
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
1-[2-[4-(1-isocyanatocyclobutyl)phenyl]ethyl]-4-methylpiperazine
CID 117482469
1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine
CID 134846491
1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117463972
2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid
CID 117438263
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine
CID 143042806

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid (CID 117487334) is 2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid is CN1CCN(CCc2ccc(C3(CC(=O)O)CC3)cc2)CC1.
What is the InChIKey of 2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid?
The InChIKey is WNUNUZJETSMYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-19-10-12-20(13-11-19)9-6-15-2-4-16(5-3-15)18(7-8-18)14-17(21)22/h2-5H,6-14H2,1H3,(H,21,22).
What are the key properties of 2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid?
2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid has a molecular weight of 302.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117487334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).