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

C14H18BrF2NO — CID 171369466

IUPAC1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine
SMILESCC1CCCN(Cc2ccc(OC(F)F)c(Br)c2)C1
InChIInChI=1S/C14H18BrF2NO/c1-10-3-2-6-18(8-10)9-11-4-5-13(12(15)7-11)19-14(16)17/h4-5,7,10,14H,2-3,6,8-9H2,1H3
InChIKeyAAONRRMLQFBWQF-UHFFFAOYSA-N
MW334.20 g/mol
LogP4.28
Rot. Bonds4

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

1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine (PubChem CID 171369466) has the molecular formula C14H18BrF2NO and a molecular weight of 334.20 g/mol. Its IUPAC name is 1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine
PubChem CID171369466
Molecular FormulaC14H18BrF2NO
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine
SMILESCC1CCCN(Cc2ccc(OC(F)F)c(Br)c2)C1
InChIInChI=1S/C14H18BrF2NO/c1-10-3-2-6-18(8-10)9-11-4-5-13(12(15)7-11)19-14(16)17/h4-5,7,10,14H,2-3,6,8-9H2,1H3
InChIKeyAAONRRMLQFBWQF-UHFFFAOYSA-N
XLogP4.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
CID 783360
(2R)-1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038447
1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine
CID 113235650
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine
CID 79874611
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylazepane
CID 63623198
2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol
CID 107693923
2-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728608
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
1-[(3-bromo-4-methoxyphenyl)methyl]-3-methyl-1,4-diazepane
CID 64859030
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547

Frequently Asked Questions

What is the IUPAC name of 1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine?
The IUPAC name of 1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine (CID 171369466) is 1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine.
What is the SMILES notation for 1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine?
The canonical SMILES for 1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine is CC1CCCN(Cc2ccc(OC(F)F)c(Br)c2)C1.
What is the InChIKey of 1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine?
The InChIKey is AAONRRMLQFBWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO/c1-10-3-2-6-18(8-10)9-11-4-5-13(12(15)7-11)19-14(16)17/h4-5,7,10,14H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine?
1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine has a molecular weight of 334.20 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine is sourced from PubChem (CID 171369466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).