7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride

C17H29Cl2N3O — CID 119826823

IUPAC7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H27N3O.2ClH/c18-11-7-2-1-6-10-17(21)20-14-12-19(13-15-20)16-8-4-3-5-9-16;;/h3-5,8-9H,1-2,6-7,10-15,18H2;2*1H
InChIKeyJCWPRYZHBFHCLK-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.09
Rot. Bonds7

About 7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride

7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride (PubChem CID 119826823) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride.

Molecular Properties

Compound Name7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
PubChem CID119826823
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H27N3O.2ClH/c18-11-7-2-1-6-10-17(21)20-14-12-19(13-15-20)16-8-4-3-5-9-16;;/h3-5,8-9H,1-2,6-7,10-15,18H2;2*1H
InChIKeyJCWPRYZHBFHCLK-UHFFFAOYSA-N
XLogP3.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one;dihydrochloride
CID 119860823
4-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75415581
7-amino-1-[4-(3-nitrophenyl)piperazin-1-yl]heptan-1-one;dihydrochloride
CID 119858319
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
1-(4-phenylpiperazin-1-yl)hex-5-yn-1-one
CID 138529966
7-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]heptan-1-one
CID 119678275
7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one
CID 119887294
1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
CID 61252118
1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride?
The IUPAC name of 7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride (CID 119826823) is 7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride.
What is the SMILES notation for 7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride?
The canonical SMILES for 7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride is Cl.Cl.NCCCCCCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride?
The InChIKey is JCWPRYZHBFHCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c18-11-7-2-1-6-10-17(21)20-14-12-19(13-15-20)16-8-4-3-5-9-16;;/h3-5,8-9H,1-2,6-7,10-15,18H2;2*1H.
What are the key properties of 7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride?
7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride is sourced from PubChem (CID 119826823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).