2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride

C17H29Cl2N3O2 — CID 119880157

IUPAC2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride
SMILESCCC1CN(C(=O)C(N)c2ccccc2)CCN1CC(C)O.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-3-15-12-20(10-9-19(15)11-13(2)21)17(22)16(18)14-7-5-4-6-8-14;;/h4-8,13,15-16,21H,3,9-12,18H2,1-2H3;2*1H
InChIKeyCMKBWXPNDMUOLH-UHFFFAOYSA-N
MW378.34 g/mol
LogP1.83
Rot. Bonds5

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

2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride (PubChem CID 119880157) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride
PubChem CID119880157
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC Name2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride
SMILESCCC1CN(C(=O)C(N)c2ccccc2)CCN1CC(C)O.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-3-15-12-20(10-9-19(15)11-13(2)21)17(22)16(18)14-7-5-4-6-8-14;;/h4-8,13,15-16,21H,3,9-12,18H2,1-2H3;2*1H
InChIKeyCMKBWXPNDMUOLH-UHFFFAOYSA-N
XLogP1.83
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119880197
(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide
CID 98848186
2-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119880087
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 119953755
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
(2S)-2-amino-1-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 99852464
(2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 98791674
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425
2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone
CID 86784489
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone
CID 119337376
3-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]benzoic acid
CID 122029016

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride?
The IUPAC name of 2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride (CID 119880157) is 2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride is CCC1CN(C(=O)C(N)c2ccccc2)CCN1CC(C)O.Cl.Cl.
What is the InChIKey of 2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride?
The InChIKey is CMKBWXPNDMUOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-3-15-12-20(10-9-19(15)11-13(2)21)17(22)16(18)14-7-5-4-6-8-14;;/h4-8,13,15-16,21H,3,9-12,18H2,1-2H3;2*1H.
What are the key properties of 2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride?
2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride is sourced from PubChem (CID 119880157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).