(3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride

C15H31Cl2N3O2 — CID 119880273

IUPAC(3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
SMILESCOCCN1CCN(C(=O)C2CCCC(N)C2)CC1C.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-12-11-18(7-6-17(12)8-9-20-2)15(19)13-4-3-5-14(16)10-13;;/h12-14H,3-11,16H2,1-2H3;2*1H
InChIKeyZXJMWBYQYFIIAX-UHFFFAOYSA-N
MW356.34 g/mol
LogP1.53
Rot. Bonds4

About (3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride

(3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride (PubChem CID 119880273) has the molecular formula C15H31Cl2N3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
PubChem CID119880273
Molecular FormulaC15H31Cl2N3O2
Molecular Weight356.34 g/mol
Exact Mass355.18
IUPAC Name(3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
SMILESCOCCN1CCN(C(=O)C2CCCC(N)C2)CC1C.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-12-11-18(7-6-17(12)8-9-20-2)15(19)13-4-3-5-14(16)10-13;;/h12-14H,3-11,16H2,1-2H3;2*1H
InChIKeyZXJMWBYQYFIIAX-UHFFFAOYSA-N
XLogP1.53
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603764
(3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 119880090
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
(3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532843
(3-aminocyclopentyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 119880437
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887153
(3-aminocyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 55135879
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
(3-aminocyclopentyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103810664
(3-aminocyclohexyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81200359
3-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119861345

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride (CID 119880273) is (3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride is COCCN1CCN(C(=O)C2CCCC(N)C2)CC1C.Cl.Cl.
What is the InChIKey of (3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride?
The InChIKey is ZXJMWBYQYFIIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.2ClH/c1-12-11-18(7-6-17(12)8-9-20-2)15(19)13-4-3-5-14(16)10-13;;/h12-14H,3-11,16H2,1-2H3;2*1H.
What are the key properties of (3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride?
(3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride has a molecular weight of 356.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119880273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).