4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one

C18H30N4O2 — CID 119903300

IUPAC4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one
SMILESCN(C)CCOc1ccccc1N1CCN(C(=O)CCCN)CC1
InChIInChI=1S/C18H30N4O2/c1-20(2)14-15-24-17-7-4-3-6-16(17)21-10-12-22(13-11-21)18(23)8-5-9-19/h3-4,6-7H,5,8-15,19H2,1-2H3
InChIKeyKTZSVAJEMJTRFN-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.01
Rot. Bonds8

About 4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one

4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one (PubChem CID 119903300) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one
PubChem CID119903300
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one
SMILESCN(C)CCOc1ccccc1N1CCN(C(=O)CCCN)CC1
InChIInChI=1S/C18H30N4O2/c1-20(2)14-15-24-17-7-4-3-6-16(17)21-10-12-22(13-11-21)18(23)8-5-9-19/h3-4,6-7H,5,8-15,19H2,1-2H3
InChIKeyKTZSVAJEMJTRFN-UHFFFAOYSA-N
XLogP1.01
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-aminocyclopropyl)-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]methanone;trihydrochloride
CID 119903273
2-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]-2-methylpropan-1-one;trihydrochloride
CID 119903277
4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid
CID 119994243
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
4-[2-(4-ethoxy-4-oxobutoxy)phenyl]piperazine-1-carboxylic acid
CID 67053278
3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 4740257
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109017069
1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine
CID 114526497
1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306
4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one
CID 54872719

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one (CID 119903300) is 4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one is CN(C)CCOc1ccccc1N1CCN(C(=O)CCCN)CC1.
What is the InChIKey of 4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one?
The InChIKey is KTZSVAJEMJTRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-20(2)14-15-24-17-7-4-3-6-16(17)21-10-12-22(13-11-21)18(23)8-5-9-19/h3-4,6-7H,5,8-15,19H2,1-2H3.
What are the key properties of 4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one?
4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one has a molecular weight of 334.46 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119903300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).