1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine

C15H24BrN3 — CID 43585829

IUPAC1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C(CN)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H24BrN3/c1-18(2)14-6-8-19(9-7-14)15(11-17)12-4-3-5-13(16)10-12/h3-5,10,14-15H,6-9,11,17H2,1-2H3
InChIKeySGXBEZIGAKXWNV-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.47
Rot. Bonds4

About 1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine

1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 43585829) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
PubChem CID43585829
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C(CN)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H24BrN3/c1-18(2)14-6-8-19(9-7-14)15(11-17)12-4-3-5-13(16)10-12/h3-5,10,14-15H,6-9,11,17H2,1-2H3
InChIKeySGXBEZIGAKXWNV-UHFFFAOYSA-N
XLogP2.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol
CID 112624625
2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine
CID 61429621
1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166544
2-(3-bromophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531005
1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 110898476
2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16792080
1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 105404983
1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166417
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266358
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine (CID 43585829) is 1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(C(CN)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is SGXBEZIGAKXWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-18(2)14-6-8-19(9-7-14)15(11-17)12-4-3-5-13(16)10-12/h3-5,10,14-15H,6-9,11,17H2,1-2H3.
What are the key properties of 1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine?
1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 326.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 43585829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).