2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride

C18H37Cl2N3O2 — CID 119896929

IUPAC2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCOCCNCC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1.Cl.Cl
InChIInChI=1S/C18H35N3O2.2ClH/c1-15(2)16-4-6-17(7-5-16)20-9-11-21(12-10-20)18(22)14-19-8-13-23-3;;/h15-17,19H,4-14H2,1-3H3;2*1H
InChIKeyBOIOBNQKVOKURS-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.42
Rot. Bonds7

About 2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride

2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 119896929) has the molecular formula C18H37Cl2N3O2 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID119896929
Molecular FormulaC18H37Cl2N3O2
Molecular Weight398.42 g/mol
Exact Mass397.23
IUPAC Name2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCOCCNCC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1.Cl.Cl
InChIInChI=1S/C18H35N3O2.2ClH/c1-15(2)16-4-6-17(7-5-16)20-9-11-21(12-10-20)18(22)14-19-8-13-23-3;;/h15-17,19H,4-14H2,1-3H3;2*1H
InChIKeyBOIOBNQKVOKURS-UHFFFAOYSA-N
XLogP2.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119831605
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 79282689
1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79280949
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79281462
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 107217441
2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 79290556
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
2-(2-methoxyethylamino)-1-(2-propan-2-ylpiperidin-1-yl)ethanone
CID 119788483

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride (CID 119896929) is 2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride is COCCNCC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is BOIOBNQKVOKURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2.2ClH/c1-15(2)16-4-6-17(7-5-16)20-9-11-21(12-10-20)18(22)14-19-8-13-23-3;;/h15-17,19H,4-14H2,1-3H3;2*1H.
What are the key properties of 2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride?
2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 398.42 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119896929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).