3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine

C13H17BrFN — CID 115052309

IUPAC3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine
SMILESCN1CCCC(C(F)c2ccc(Br)cc2)C1
InChIInChI=1S/C13H17BrFN/c1-16-8-2-3-11(9-16)13(15)10-4-6-12(14)7-5-10/h4-7,11,13H,2-3,8-9H2,1H3
InChIKeyMCZITAXIBAJARC-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.80
Rot. Bonds2

About 3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine

3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine (PubChem CID 115052309) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine.

Molecular Properties

Compound Name3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine
PubChem CID115052309
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine
SMILESCN1CCCC(C(F)c2ccc(Br)cc2)C1
InChIInChI=1S/C13H17BrFN/c1-16-8-2-3-11(9-16)13(15)10-4-6-12(14)7-5-10/h4-7,11,13H,2-3,8-9H2,1H3
InChIKeyMCZITAXIBAJARC-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-3-(3-Bromo-phenyl)-1-propyl-piperidine
CID 10356389
Piperidine, 4-((4-bromophenyl)phenylmethylene)-1-methyl-, hydrochloride
CID 3076342
(2-(4-Bromophenyl)ethyl)dimethylamine
CID 10751802
4-(3-Bromo-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-piperidine
CID 23343659
4-[(E)-2-(4-bromophenyl)ethenyl]-1-prop-2-ynylpiperidine
CID 134385635
1-(4-Bromobenzyl)piperidine
CID 16495045
4-(4-Fluorobenzyl)-1-methylpiperidine
CID 14947166
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
4-(4-Bromophenyl)piperidine
CID 2757159
4-(3-Bromophenyl)-1-methyl-1,2,3,6-tetrahydropyridine
CID 189336
N-(2-(4-bromophenyl)ethyl)-N-methyl-2-(1-piperidinyl)ethylamine
CID 380072
4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 10634535

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine?
The IUPAC name of 3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine (CID 115052309) is 3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine.
What is the SMILES notation for 3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine?
The canonical SMILES for 3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine is CN1CCCC(C(F)c2ccc(Br)cc2)C1.
What is the InChIKey of 3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine?
The InChIKey is MCZITAXIBAJARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-16-8-2-3-11(9-16)13(15)10-4-6-12(14)7-5-10/h4-7,11,13H,2-3,8-9H2,1H3.
What are the key properties of 3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine?
3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine has a molecular weight of 286.19 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine is sourced from PubChem (CID 115052309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).