1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine

C15H21BrF2N2 — CID 107081713

IUPAC1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2c(F)cc(CBr)cc2F)CC1
InChIInChI=1S/C15H21BrF2N2/c1-19(2)10-11-3-5-20(6-4-11)15-13(17)7-12(9-16)8-14(15)18/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyCOFHLQJEDNHWPJ-UHFFFAOYSA-N
MW347.25 g/mol
LogP3.64
Rot. Bonds4

About 1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 107081713) has the molecular formula C15H21BrF2N2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID107081713
Molecular FormulaC15H21BrF2N2
Molecular Weight347.25 g/mol
Exact Mass346.09
IUPAC Name1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2c(F)cc(CBr)cc2F)CC1
InChIInChI=1S/C15H21BrF2N2/c1-19(2)10-11-3-5-20(6-4-11)15-13(17)7-12(9-16)8-14(15)18/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyCOFHLQJEDNHWPJ-UHFFFAOYSA-N
XLogP3.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(bromomethyl)-2,6-difluorophenyl]-4-ethylazepane
CID 107083954
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,5-difluorobenzaldehyde
CID 63051563
1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine
CID 107085562
1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propylazepane
CID 107083971
1-[4-(bromomethyl)-2,6-difluorophenyl]-4-methylazepane
CID 107083576
1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine
CID 107078854
4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline
CID 107081456
1-[4-(bromomethyl)-2,6-difluorophenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 107083312
1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine
CID 107083250
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986177
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline
CID 54985871
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline
CID 103590157

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine (CID 107081713) is 1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(c2c(F)cc(CBr)cc2F)CC1.
What is the InChIKey of 1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is COFHLQJEDNHWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF2N2/c1-19(2)10-11-3-5-20(6-4-11)15-13(17)7-12(9-16)8-14(15)18/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 347.25 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 107081713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).