[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride

C17H28Cl2N4O — CID 119402312

IUPAC[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
SMILESCN1CCN(Cc2cccc(C(=O)N3CCNCC3)c2)CC1.Cl.Cl
InChIInChI=1S/C17H26N4O.2ClH/c1-19-9-11-20(12-10-19)14-15-3-2-4-16(13-15)17(22)21-7-5-18-6-8-21;;/h2-4,13,18H,5-12,14H2,1H3;2*1H
InChIKeyDZDANSPETVYSSF-UHFFFAOYSA-N
MW375.34 g/mol
LogP1.32
Rot. Bonds3

About [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride

[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride (PubChem CID 119402312) has the molecular formula C17H28Cl2N4O and a molecular weight of 375.34 g/mol. Its IUPAC name is [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
PubChem CID119402312
Molecular FormulaC17H28Cl2N4O
Molecular Weight375.34 g/mol
Exact Mass374.16
IUPAC Name[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
SMILESCN1CCN(Cc2cccc(C(=O)N3CCNCC3)c2)CC1.Cl.Cl
InChIInChI=1S/C17H26N4O.2ClH/c1-19-9-11-20(12-10-19)14-15-3-2-4-16(13-15)17(22)21-7-5-18-6-8-21;;/h2-4,13,18H,5-12,14H2,1H3;2*1H
InChIKeyDZDANSPETVYSSF-UHFFFAOYSA-N
XLogP1.32
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-diazepan-1-yl-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119416822
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
1,4-diazepan-1-yl-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119417788
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
[4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119423563
(3-hydroxypiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 111536594
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone;dihydrochloride
CID 120816373
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
CID 39146763
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 46054196
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730303
(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
CID 70962080

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride?
The IUPAC name of [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride (CID 119402312) is [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride.
What is the SMILES notation for [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride?
The canonical SMILES for [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride is CN1CCN(Cc2cccc(C(=O)N3CCNCC3)c2)CC1.Cl.Cl.
What is the InChIKey of [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride?
The InChIKey is DZDANSPETVYSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.2ClH/c1-19-9-11-20(12-10-19)14-15-3-2-4-16(13-15)17(22)21-7-5-18-6-8-21;;/h2-4,13,18H,5-12,14H2,1H3;2*1H.
What are the key properties of [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride?
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride has a molecular weight of 375.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride is sourced from PubChem (CID 119402312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).