N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine

C14H20BrFN2 — CID 79705621

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C14H20BrFN2/c1-17-5-3-4-14(10-17)18(2)9-11-6-12(15)8-13(16)7-11/h6-8,14H,3-5,9-10H2,1-2H3
InChIKeyLGLTWWGVEGWYTB-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.11
Rot. Bonds3

About N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine

N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 79705621) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
PubChem CID79705621
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C14H20BrFN2/c1-17-5-3-4-14(10-17)18(2)9-11-6-12(15)8-13(16)7-11/h6-8,14H,3-5,9-10H2,1-2H3
InChIKeyLGLTWWGVEGWYTB-UHFFFAOYSA-N
XLogP3.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 112646134
N-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine
CID 121458402
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79713286
4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82958502
4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
CID 107902822
N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 55084699
1-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 79706473
3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
CID 62545532
N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717100
1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416319
N-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine
CID 80673045

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine (CID 79705621) is N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)Cc2cc(F)cc(Br)c2)C1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is LGLTWWGVEGWYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-17-5-3-4-14(10-17)18(2)9-11-6-12(15)8-13(16)7-11/h6-8,14H,3-5,9-10H2,1-2H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 315.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 79705621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).