1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine

C14H17BrF3NO — CID 172648437

IUPAC1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2cc(Br)cc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C14H17BrF3NO/c1-10-2-4-19(5-3-10)9-11-6-12(15)8-13(7-11)20-14(16,17)18/h6-8,10H,2-5,9H2,1H3
InChIKeyMOVVNYYMKWLIHK-UHFFFAOYSA-N
MW352.19 g/mol
LogP4.58
Rot. Bonds3

About 1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine

1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine (PubChem CID 172648437) has the molecular formula C14H17BrF3NO and a molecular weight of 352.19 g/mol. Its IUPAC name is 1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine
PubChem CID172648437
Molecular FormulaC14H17BrF3NO
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC Name1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2cc(Br)cc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C14H17BrF3NO/c1-10-2-4-19(5-3-10)9-11-6-12(15)8-13(7-11)20-14(16,17)18/h6-8,10H,2-5,9H2,1H3
InChIKeyMOVVNYYMKWLIHK-UHFFFAOYSA-N
XLogP4.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidine
CID 172648439
1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine
CID 130192199
1-[(3-bromo-5-phenylmethoxyphenyl)methyl]-4-(trifluoromethyl)piperidine
CID 172648004
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)piperidine
CID 172647999
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine
CID 171396188
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 107104811
(3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine
CID 172647841
4-chloro-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 114682246
(2S)-2-[3-bromo-5-(trifluoromethoxy)phenyl]azetidine
CID 131406196
1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 138381001

Frequently Asked Questions

What is the IUPAC name of 1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine (CID 172648437) is 1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine is CC1CCN(Cc2cc(Br)cc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine?
The InChIKey is MOVVNYYMKWLIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO/c1-10-2-4-19(5-3-10)9-11-6-12(15)8-13(7-11)20-14(16,17)18/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine?
1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine has a molecular weight of 352.19 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine is sourced from PubChem (CID 172648437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).