2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride

C19H33Cl2N3O2 — CID 120734114

IUPAC2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
SMILESCCC(C(=O)N1CCNCC1c1ccccc1OC)N(CC)CC.Cl.Cl
InChIInChI=1S/C19H31N3O2.2ClH/c1-5-16(21(6-2)7-3)19(23)22-13-12-20-14-17(22)15-10-8-9-11-18(15)24-4;;/h8-11,16-17,20H,5-7,12-14H2,1-4H3;2*1H
InChIKeyKUZQPRMTVXDFMM-UHFFFAOYSA-N
MW406.40 g/mol
LogP3.13
Rot. Bonds7

About 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride

2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride (PubChem CID 120734114) has the molecular formula C19H33Cl2N3O2 and a molecular weight of 406.40 g/mol. Its IUPAC name is 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
PubChem CID120734114
Molecular FormulaC19H33Cl2N3O2
Molecular Weight406.40 g/mol
Exact Mass405.19
IUPAC Name2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
SMILESCCC(C(=O)N1CCNCC1c1ccccc1OC)N(CC)CC.Cl.Cl
InChIInChI=1S/C19H31N3O2.2ClH/c1-5-16(21(6-2)7-3)19(23)22-13-12-20-14-17(22)15-10-8-9-11-18(15)24-4;;/h8-11,16-17,20H,5-7,12-14H2,1-4H3;2*1H
InChIKeyKUZQPRMTVXDFMM-UHFFFAOYSA-N
XLogP3.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 120733699
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 120732830
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-prop-2-enylpent-4-en-1-one;hydrochloride
CID 120734201
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 120734753
[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732723
N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120733486
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenoxypropan-1-one
CID 120732873
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120733424

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride (CID 120734114) is 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride is CCC(C(=O)N1CCNCC1c1ccccc1OC)N(CC)CC.Cl.Cl.
What is the InChIKey of 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is KUZQPRMTVXDFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.2ClH/c1-5-16(21(6-2)7-3)19(23)22-13-12-20-14-17(22)15-10-8-9-11-18(15)24-4;;/h8-11,16-17,20H,5-7,12-14H2,1-4H3;2*1H.
What are the key properties of 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride?
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 406.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 120734114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).