N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine

C14H20BrFN2 — CID 79717100

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
SMILESCN(Cc1cc(F)cc(Br)c1)CC1CCNCC1
InChIInChI=1S/C14H20BrFN2/c1-18(9-11-2-4-17-5-3-11)10-12-6-13(15)8-14(16)7-12/h6-8,11,17H,2-5,9-10H2,1H3
InChIKeyOYJLKOAHSUBSJG-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.02
Rot. Bonds4

About N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine

N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine (PubChem CID 79717100) 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-methyl-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
PubChem CID79717100
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
SMILESCN(Cc1cc(F)cc(Br)c1)CC1CCNCC1
InChIInChI=1S/C14H20BrFN2/c1-18(9-11-2-4-17-5-3-11)10-12-6-13(15)8-14(16)7-12/h6-8,11,17H,2-5,9-10H2,1H3
InChIKeyOYJLKOAHSUBSJG-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79716481
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120849776
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616244
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
[4-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]methanol
CID 113365922
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
N-methyl-N-(naphthalen-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929695
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416319
N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79705621
N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 79706521

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine (CID 79717100) is N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine is CN(Cc1cc(F)cc(Br)c1)CC1CCNCC1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
The InChIKey is OYJLKOAHSUBSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-18(9-11-2-4-17-5-3-11)10-12-6-13(15)8-14(16)7-12/h6-8,11,17H,2-5,9-10H2,1H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine has a molecular weight of 315.23 g/mol, XLogP of 3.02, 4 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]-N-methyl-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 79717100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).