1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride

C17H27Cl2N3O — CID 119826750

IUPAC1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25N3O.2ClH/c21-17(13-18-12-15-6-7-15)20-10-8-19(9-11-20)14-16-4-2-1-3-5-16;;/h1-5,15,18H,6-14H2;2*1H
InChIKeyUQNVYVBJVAAVJD-UHFFFAOYSA-N
MW360.33 g/mol
LogP2.17
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride

1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride (PubChem CID 119826750) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
PubChem CID119826750
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25N3O.2ClH/c21-17(13-18-12-15-6-7-15)20-10-8-19(9-11-20)14-16-4-2-1-3-5-16;;/h1-5,15,18H,6-14H2;2*1H
InChIKeyUQNVYVBJVAAVJD-UHFFFAOYSA-N
XLogP2.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838013
1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 119764304
2-(cyclopropylmethylamino)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
CID 119834681
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
2-(cyclopropylmethylamino)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 119838214
1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119399445
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826752
1-(4-benzylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942723
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 55345495

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride (CID 119826750) is 1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride is Cl.Cl.O=C(CNCC1CC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride?
The InChIKey is UQNVYVBJVAAVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2ClH/c21-17(13-18-12-15-6-7-15)20-10-8-19(9-11-20)14-16-4-2-1-3-5-16;;/h1-5,15,18H,6-14H2;2*1H.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride?
1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride is sourced from PubChem (CID 119826750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).