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

C16H33Cl2N3O2 — CID 119880225

IUPAC(1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCCC1CN(C(=O)C2(N)CCCCC2)CCN1CC(C)O.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-3-14-12-19(10-9-18(14)11-13(2)20)15(21)16(17)7-5-4-6-8-16;;/h13-14,20H,3-12,17H2,1-2H3;2*1H
InChIKeyPFOZCCCLCRDVLQ-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.80
Rot. Bonds4

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

(1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119880225) has the molecular formula C16H33Cl2N3O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119880225
Molecular FormulaC16H33Cl2N3O2
Molecular Weight370.37 g/mol
Exact Mass369.19
IUPAC Name(1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCCC1CN(C(=O)C2(N)CCCCC2)CCN1CC(C)O.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-3-14-12-19(10-9-18(14)11-13(2)20)15(21)16(17)7-5-4-6-8-16;;/h13-14,20H,3-12,17H2,1-2H3;2*1H
InChIKeyPFOZCCCLCRDVLQ-UHFFFAOYSA-N
XLogP1.80
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119880395
(1-aminocyclopentyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 119880445
(2S)-2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119880197
(1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone
CID 119880418
1-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 154842204
3-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 98767301
3-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 95766552
2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride
CID 119880157
(1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119326965
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119269732
[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
CID 119880159
[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119880227

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride (CID 119880225) is (1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride is CCC1CN(C(=O)C2(N)CCCCC2)CCN1CC(C)O.Cl.Cl.
What is the InChIKey of (1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is PFOZCCCLCRDVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.2ClH/c1-3-14-12-19(10-9-18(14)11-13(2)20)15(21)16(17)7-5-4-6-8-16;;/h13-14,20H,3-12,17H2,1-2H3;2*1H.
What are the key properties of (1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride?
(1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 370.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119880225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).