1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine

C16H21BrN4 — CID 171101377

IUPAC1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2cccc(-n3cnc(Br)c3)c2)C1
InChIInChI=1S/C16H21BrN4/c1-19(2)15-7-4-8-20(10-15)13-5-3-6-14(9-13)21-11-16(17)18-12-21/h3,5-6,9,11-12,15H,4,7-8,10H2,1-2H3
InChIKeyJQJPIVPNTZXEMN-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.17
Rot. Bonds3

About 1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine

1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 171101377) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine
PubChem CID171101377
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2cccc(-n3cnc(Br)c3)c2)C1
InChIInChI=1S/C16H21BrN4/c1-19(2)15-7-4-8-20(10-15)13-5-3-6-14(9-13)21-11-16(17)18-12-21/h3,5-6,9,11-12,15H,4,7-8,10H2,1-2H3
InChIKeyJQJPIVPNTZXEMN-UHFFFAOYSA-N
XLogP3.17
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 171101536
2-bromo-4-[3-(dimethylamino)piperidin-1-yl]benzonitrile
CID 107276477
5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 115490992
1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine
CID 79398821
1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 83126913
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 83127877
3-bromo-5-[3-(dimethylamino)piperidin-1-yl]benzonitrile
CID 102816721
1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine
CID 68506217
5-bromo-2-[3-(dimethylamino)piperidin-1-yl]benzoic acid
CID 114895868
3-[3-(dimethylamino)pyrrolidin-1-yl]-N-hydroxybenzeneamine oxide
CID 58529218
2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol
CID 117005019
(3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine
CID 174423288

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine (CID 171101377) is 1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(c2cccc(-n3cnc(Br)c3)c2)C1.
What is the InChIKey of 1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is JQJPIVPNTZXEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-19(2)15-7-4-8-20(10-15)13-5-3-6-14(9-13)21-11-16(17)18-12-21/h3,5-6,9,11-12,15H,4,7-8,10H2,1-2H3.
What are the key properties of 1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine?
1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 349.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 171101377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).