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

C17H24N2O2 — CID 117466059

IUPAC2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid
SMILESCN1CCN(Cc2ccc(C3(CC(=O)O)CC3)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-18-8-10-19(11-9-18)13-14-2-4-15(5-3-14)17(6-7-17)12-16(20)21/h2-5H,6-13H2,1H3,(H,20,21)
InChIKeyLMQBLAIHDRHWMN-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.94
Rot. Bonds5

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

2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid (PubChem CID 117466059) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid
PubChem CID117466059
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid
SMILESCN1CCN(Cc2ccc(C3(CC(=O)O)CC3)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-18-8-10-19(11-9-18)13-14-2-4-15(5-3-14)17(6-7-17)12-16(20)21/h2-5H,6-13H2,1H3,(H,20,21)
InChIKeyLMQBLAIHDRHWMN-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid
CID 117487334
2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid
CID 117438634
[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine
CID 117464200
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetic acid
CID 105345632
2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787396
2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
CID 117365326
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
1-methyl-4-[(4-methylphenyl)methyl]-1,4-diazepane;oxalic acid
CID 163327143
4-amino-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]butanoic acid
CID 117470899
1-benzyl-4-methylpiperazine;formic acid
CID 54605116
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid (CID 117466059) is 2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid is CN1CCN(Cc2ccc(C3(CC(=O)O)CC3)cc2)CC1.
What is the InChIKey of 2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid?
The InChIKey is LMQBLAIHDRHWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-8-10-19(11-9-18)13-14-2-4-15(5-3-14)17(6-7-17)12-16(20)21/h2-5H,6-13H2,1H3,(H,20,21).
What are the key properties of 2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid?
2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid has a molecular weight of 288.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117466059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).