1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine

C14H19BrFNO — CID 168511341

IUPAC1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
SMILESCOc1ccc(F)c(Br)c1CN1CCCC(C)C1
InChIInChI=1S/C14H19BrFNO/c1-10-4-3-7-17(8-10)9-11-13(18-2)6-5-12(16)14(11)15/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyGOPUPSHTRLSHBH-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.83
Rot. Bonds3

About 1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine

1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine (PubChem CID 168511341) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
PubChem CID168511341
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
SMILESCOc1ccc(F)c(Br)c1CN1CCCC(C)C1
InChIInChI=1S/C14H19BrFNO/c1-10-4-3-7-17(8-10)9-11-13(18-2)6-5-12(16)14(11)15/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyGOPUPSHTRLSHBH-UHFFFAOYSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
CID 144598997
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
CID 783360
7-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptane
CID 146989054
(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine
CID 26458710
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589
(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine
CID 26458149
(4R)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N,N-dimethylazepan-4-amine
CID 99952673
1-[(2-bromo-5-methoxyphenyl)methyl]-3-methylpiperidine
CID 65326691
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine
CID 171369466
1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine
CID 155556362

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine?
The IUPAC name of 1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine (CID 168511341) is 1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine.
What is the SMILES notation for 1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine?
The canonical SMILES for 1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine is COc1ccc(F)c(Br)c1CN1CCCC(C)C1.
What is the InChIKey of 1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine?
The InChIKey is GOPUPSHTRLSHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-10-4-3-7-17(8-10)9-11-13(18-2)6-5-12(16)14(11)15/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine?
1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine has a molecular weight of 316.21 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine is sourced from PubChem (CID 168511341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).