2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid

C16H22N2O2 — CID 79980662

IUPAC2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid
SMILESCN1CCN(C(C(=O)O)c2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C16H22N2O2/c1-17-8-10-18(11-9-17)15(16(19)20)14-6-4-13(5-7-14)12-2-3-12/h4-7,12,15H,2-3,8-11H2,1H3,(H,19,20)
InChIKeyKWLGOHKOXDUNFI-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.94
Rot. Bonds4

About 2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid

2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid (PubChem CID 79980662) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid
PubChem CID79980662
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid
SMILESCN1CCN(C(C(=O)O)c2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C16H22N2O2/c1-17-8-10-18(11-9-17)15(16(19)20)14-6-4-13(5-7-14)12-2-3-12/h4-7,12,15H,2-3,8-11H2,1H3,(H,19,20)
InChIKeyKWLGOHKOXDUNFI-UHFFFAOYSA-N
XLogP1.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-phenylpiperidine;(2R)-2-phenyl-2-(3-phenylpyrrolidin-1-yl)acetic acid
CID 142020821
2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 59570503
2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 79980097
2-(4-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)acetic acid
CID 83978656
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
2-(1-benzothiophen-5-yl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 59570496
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 82345105
2-(azepan-1-yl)-2-(3-cyclopropylphenyl)acetic acid
CID 79980420
1-[4-(1-methylpiperidin-4-yl)phenyl]ethanol
CID 58103926
2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid
CID 84751142
2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid
CID 79981052

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid (CID 79980662) is 2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid is CN1CCN(C(C(=O)O)c2ccc(C3CC3)cc2)CC1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid?
The InChIKey is KWLGOHKOXDUNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-17-8-10-18(11-9-17)15(16(19)20)14-6-4-13(5-7-14)12-2-3-12/h4-7,12,15H,2-3,8-11H2,1H3,(H,19,20).
What are the key properties of 2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid?
2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid has a molecular weight of 274.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 79980662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).