1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine

C14H20BrFN2 — CID 107080540

IUPAC1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2ccc(CBr)cc2F)CC1
InChIInChI=1S/C14H20BrFN2/c1-17(2)12-5-7-18(8-6-12)14-4-3-11(10-15)9-13(14)16/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyTZDHMITVWPENEF-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.25
Rot. Bonds3

About 1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine

1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 107080540) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine
PubChem CID107080540
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2ccc(CBr)cc2F)CC1
InChIInChI=1S/C14H20BrFN2/c1-17(2)12-5-7-18(8-6-12)14-4-3-11(10-15)9-13(14)16/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyTZDHMITVWPENEF-UHFFFAOYSA-N
XLogP3.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.25
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

5-(bromomethyl)-2-[4-(dimethylamino)piperidin-1-yl]benzonitrile
CID 114063537
2-[4-(bromomethyl)-2-fluorophenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 107084819
4-(bromomethyl)-N-cyclopropyl-2-fluoro-N-methylaniline
CID 107079857
1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine
CID 107084260
4-[4-(bromomethyl)-2-fluorophenyl]-3-methylthiomorpholine
CID 107083861
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 86810891
[1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol
CID 43133225
2-[4-(dimethylamino)piperidin-1-yl]-5-ethylbenzonitrile
CID 139410160
[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine
CID 114236471
1-(4-ethyl-2-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 138531638
N,N-diethyl-1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrrolidin-3-amine
CID 63164577
1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 70912989

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine (CID 107080540) is 1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(c2ccc(CBr)cc2F)CC1.
What is the InChIKey of 1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is TZDHMITVWPENEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-17(2)12-5-7-18(8-6-12)14-4-3-11(10-15)9-13(14)16/h3-4,9,12H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine?
1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 315.23 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 107080540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).