1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine

C16H26BrN3 — CID 102771048

IUPAC1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCC1CN(Cc2ccc(CNC)cc2Br)CCN1C
InChIInChI=1S/C16H26BrN3/c1-4-15-12-20(8-7-19(15)3)11-14-6-5-13(10-18-2)9-16(14)17/h5-6,9,15,18H,4,7-8,10-12H2,1-3H3
InChIKeyADFPBCWRBVCOIT-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.69
Rot. Bonds5

About 1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine

1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine (PubChem CID 102771048) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
PubChem CID102771048
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCC1CN(Cc2ccc(CNC)cc2Br)CCN1C
InChIInChI=1S/C16H26BrN3/c1-4-15-12-20(8-7-19(15)3)11-14-6-5-13(10-18-2)9-16(14)17/h5-6,9,15,18H,4,7-8,10-12H2,1-3H3
InChIKeyADFPBCWRBVCOIT-UHFFFAOYSA-N
XLogP2.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102771028
1-[3-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102771573
1-[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 55215650
1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine
CID 102770635
1-[3-bromo-4-[(3-propoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102768549
[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine
CID 63604704
N-[[3-bromo-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102768820
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzonitrile
CID 63609164
N-[[3-bromo-4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102771876
1-[2-(3-ethyl-4-methylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 55217767
4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-methylbenzoic acid
CID 114485539
N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102769477

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine (CID 102771048) is 1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine is CCC1CN(Cc2ccc(CNC)cc2Br)CCN1C.
What is the InChIKey of 1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine?
The InChIKey is ADFPBCWRBVCOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-4-15-12-20(8-7-19(15)3)11-14-6-5-13(10-18-2)9-16(14)17/h5-6,9,15,18H,4,7-8,10-12H2,1-3H3.
What are the key properties of 1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine?
1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine has a molecular weight of 340.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 102771048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).