3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine

C17H26BrN3 — CID 63897610

IUPAC3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine
SMILESCN1CCN(C)C(CNC2CC(c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C17H26BrN3/c1-20-7-8-21(2)17(12-20)11-19-16-9-14(10-16)13-3-5-15(18)6-4-13/h3-6,14,16-17,19H,7-12H2,1-2H3
InChIKeyZPNQARZEBGTTGE-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.53
Rot. Bonds4

About 3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine

3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine (PubChem CID 63897610) has the molecular formula C17H26BrN3 and a molecular weight of 352.32 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine
PubChem CID63897610
Molecular FormulaC17H26BrN3
Molecular Weight352.32 g/mol
Exact Mass351.13
IUPAC Name3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine
SMILESCN1CCN(C)C(CNC2CC(c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C17H26BrN3/c1-20-7-8-21(2)17(12-20)11-19-16-9-14(10-16)13-3-5-15(18)6-4-13/h3-6,14,16-17,19H,7-12H2,1-2H3
InChIKeyZPNQARZEBGTTGE-UHFFFAOYSA-N
XLogP2.53
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 107167321
3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
CID 79082739
N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897217
3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
CID 66004545
N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine
CID 61211031
N-[(4-cyclopropylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79984609
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 107167877
3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 60856760
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine
CID 63898166
3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633757
3-(4-bromophenyl)-N-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine
CID 107167435

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine (CID 63897610) is 3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine is CN1CCN(C)C(CNC2CC(c3ccc(Br)cc3)C2)C1.
What is the InChIKey of 3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is ZPNQARZEBGTTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3/c1-20-7-8-21(2)17(12-20)11-19-16-9-14(10-16)13-3-5-15(18)6-4-13/h3-6,14,16-17,19H,7-12H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine?
3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 352.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 63897610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).