4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid

C18H29N3O3 — CID 119994243

IUPAC4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid
SMILESCN(C)CCOc1ccccc1N1CCN(CCCC(=O)O)CC1
InChIInChI=1S/C18H29N3O3/c1-19(2)14-15-24-17-7-4-3-6-16(17)21-12-10-20(11-13-21)9-5-8-18(22)23/h3-4,6-7H,5,8-15H2,1-2H3,(H,22,23)
InChIKeyRTVDZBLYWFKRIK-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.61
Rot. Bonds9

About 4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid

4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid (PubChem CID 119994243) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid
PubChem CID119994243
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid
SMILESCN(C)CCOc1ccccc1N1CCN(CCCC(=O)O)CC1
InChIInChI=1S/C18H29N3O3/c1-19(2)14-15-24-17-7-4-3-6-16(17)21-12-10-20(11-13-21)9-5-8-18(22)23/h3-4,6-7H,5,8-15H2,1-2H3,(H,22,23)
InChIKeyRTVDZBLYWFKRIK-UHFFFAOYSA-N
XLogP1.61
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one
CID 119903300
2-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]-2-methylpropan-1-one;trihydrochloride
CID 119903277
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine
CID 51357649
(1-aminocyclopropyl)-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]methanone;trihydrochloride
CID 119903273
3-[2-(4-benzoylpiperazin-1-yl)phenoxy]propanoic acid
CID 22399381
N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine
CID 120848506
6-[4-(2-cyanophenyl)piperazin-1-yl]hexanoic acid
CID 69145059
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542
2-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione
CID 51357647
1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine
CID 114526497

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid (CID 119994243) is 4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid is CN(C)CCOc1ccccc1N1CCN(CCCC(=O)O)CC1.
What is the InChIKey of 4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid?
The InChIKey is RTVDZBLYWFKRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-19(2)14-15-24-17-7-4-3-6-16(17)21-12-10-20(11-13-21)9-5-8-18(22)23/h3-4,6-7H,5,8-15H2,1-2H3,(H,22,23).
What are the key properties of 4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid?
4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid has a molecular weight of 335.45 g/mol, XLogP of 1.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid is sourced from PubChem (CID 119994243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).