N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine

C13H18BrFN2 — CID 66938969

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C13H18BrFN2/c1-17-4-2-13(3-5-17)16-9-10-6-11(14)8-12(15)7-10/h6-8,13,16H,2-5,9H2,1H3
InChIKeyFFCREPHVNJJWAM-UHFFFAOYSA-N
MW301.20 g/mol
LogP2.77
Rot. Bonds3

About N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine

N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine (PubChem CID 66938969) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine
PubChem CID66938969
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C13H18BrFN2/c1-17-4-2-13(3-5-17)16-9-10-6-11(14)8-12(15)7-10/h6-8,13,16H,2-5,9H2,1H3
InChIKeyFFCREPHVNJJWAM-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
4-(4-Fluorobenzylamino)-1-methylpiperidine
CID 2846645
1-[(4-Bromophenyl)methyl]piperazine
CID 876494
N-(3-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834406
Benzenemethanamine, 3-bromo-N-propyl-
CID 457590
Benzenemethanamine, 3-bromo-N-butyl-
CID 457591
N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine
CID 781972
1-(3-Bromobenzyl)piperazine
CID 876852
N-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 6456385
N-(3-bromobenzyl)-N-pentylamine
CID 11958382
N-(3-bromobenzyl)-N-hexylamine
CID 11958384
N-(3-Bromobenzyl)-1-(2-(methylamino)ethyl)piperidin-4-amine
CID 137635057

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine (CID 66938969) is N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine is CN1CCC(NCc2cc(F)cc(Br)c2)CC1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is FFCREPHVNJJWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-17-4-2-13(3-5-17)16-9-10-6-11(14)8-12(15)7-10/h6-8,13,16H,2-5,9H2,1H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 301.20 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 66938969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).