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

C16H33Cl2N3O2 — CID 119880395

IUPAC(1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCCC1CN(C(=O)C2(N)CCCCC2)CCN1CCOC.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-3-14-13-19(10-9-18(14)11-12-21-2)15(20)16(17)7-5-4-6-8-16;;/h14H,3-13,17H2,1-2H3;2*1H
InChIKeyKPKGSSSVCIUCFN-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.06
Rot. Bonds5

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

(1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119880395) has the molecular formula C16H33Cl2N3O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119880395
Molecular FormulaC16H33Cl2N3O2
Molecular Weight370.37 g/mol
Exact Mass369.19
IUPAC Name(1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCCC1CN(C(=O)C2(N)CCCCC2)CCN1CCOC.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-3-14-13-19(10-9-18(14)11-12-21-2)15(20)16(17)7-5-4-6-8-16;;/h14H,3-13,17H2,1-2H3;2*1H
InChIKeyKPKGSSSVCIUCFN-UHFFFAOYSA-N
XLogP2.06
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopentyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 119880445
(1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone
CID 119880418
(1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119880225
[4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 120941325
1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119880349
(2S)-2-amino-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119880381
(1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119338489
(5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120646440
(1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119326965
(2S)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95332945
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 54872234
2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 119135356

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride (CID 119880395) is (1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride is CCC1CN(C(=O)C2(N)CCCCC2)CCN1CCOC.Cl.Cl.
What is the InChIKey of (1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is KPKGSSSVCIUCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.2ClH/c1-3-14-13-19(10-9-18(14)11-12-21-2)15(20)16(17)7-5-4-6-8-16;;/h14H,3-13,17H2,1-2H3;2*1H.
What are the key properties of (1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride?
(1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 370.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119880395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).