1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride

C17H26Cl3N3O2 — CID 119827710

IUPAC1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CCCO1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O2.2ClH/c18-15-5-1-2-6-16(15)20-7-9-21(10-8-20)17(22)13-19-12-14-4-3-11-23-14;;/h1-2,5-6,14,19H,3-4,7-13H2;2*1H
InChIKeyGWULOLNMSDKSIQ-UHFFFAOYSA-N
MW410.77 g/mol
LogP2.60
Rot. Bonds5

About 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride

1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride (PubChem CID 119827710) has the molecular formula C17H26Cl3N3O2 and a molecular weight of 410.77 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
PubChem CID119827710
Molecular FormulaC17H26Cl3N3O2
Molecular Weight410.77 g/mol
Exact Mass409.11
IUPAC Name1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CCCO1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O2.2ClH/c18-15-5-1-2-6-16(15)20-7-9-21(10-8-20)17(22)13-19-12-14-4-3-11-23-14;;/h1-2,5-6,14,19H,3-4,7-13H2;2*1H
InChIKeyGWULOLNMSDKSIQ-UHFFFAOYSA-N
XLogP2.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119843545
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone
CID 108994268
1-(azepan-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 7437129
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
CID 124695340
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119836964
N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 3226886
2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone
CID 54948766
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;hydrochloride
CID 119678235
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439765
1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;hydrochloride
CID 119678927
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide
CID 42690864
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride?
The IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride (CID 119827710) is 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride.
What is the SMILES notation for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride?
The canonical SMILES for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride is Cl.Cl.O=C(CNCC1CCCO1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride?
The InChIKey is GWULOLNMSDKSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2.2ClH/c18-15-5-1-2-6-16(15)20-7-9-21(10-8-20)17(22)13-19-12-14-4-3-11-23-14;;/h1-2,5-6,14,19H,3-4,7-13H2;2*1H.
What are the key properties of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride?
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride has a molecular weight of 410.77 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride is sourced from PubChem (CID 119827710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).