[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride

C19H32Cl2N4O2 — CID 119878565

IUPAC[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
SMILESCN(CCN1CCN(C(=O)C2COCCN2)CC1)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C19H30N4O2.2ClH/c1-21(15-17-5-3-2-4-6-17)8-9-22-10-12-23(13-11-22)19(24)18-16-25-14-7-20-18;;/h2-6,18,20H,7-16H2,1H3;2*1H
InChIKeyKQQLLROZZSIMIO-UHFFFAOYSA-N
MW419.40 g/mol
LogP1.09
Rot. Bonds6

About [4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride

[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride (PubChem CID 119878565) has the molecular formula C19H32Cl2N4O2 and a molecular weight of 419.40 g/mol. Its IUPAC name is [4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
PubChem CID119878565
Molecular FormulaC19H32Cl2N4O2
Molecular Weight419.40 g/mol
Exact Mass418.19
IUPAC Name[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
SMILESCN(CCN1CCN(C(=O)C2COCCN2)CC1)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C19H30N4O2.2ClH/c1-21(15-17-5-3-2-4-6-17)8-9-22-10-12-23(13-11-22)19(24)18-16-25-14-7-20-18;;/h2-6,18,20H,7-16H2,1H3;2*1H
InChIKeyKQQLLROZZSIMIO-UHFFFAOYSA-N
XLogP1.09
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119725012
morpholin-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119697027
2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120800060
1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119941992
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119743440
2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone
CID 119878564
2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119754847
3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride
CID 119669619
(3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119806905
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119899006
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124513191
(3-aminophenyl)-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119878601

Frequently Asked Questions

What is the IUPAC name of [4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride?
The IUPAC name of [4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride (CID 119878565) is [4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride?
The canonical SMILES for [4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride is CN(CCN1CCN(C(=O)C2COCCN2)CC1)Cc1ccccc1.Cl.Cl.
What is the InChIKey of [4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride?
The InChIKey is KQQLLROZZSIMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.2ClH/c1-21(15-17-5-3-2-4-6-17)8-9-22-10-12-23(13-11-22)19(24)18-16-25-14-7-20-18;;/h2-6,18,20H,7-16H2,1H3;2*1H.
What are the key properties of [4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride?
[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride has a molecular weight of 419.40 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride is sourced from PubChem (CID 119878565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).