N-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine

C14H20BrFN2 — CID 2838199

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H20BrFN2/c1-17-7-5-12(6-8-17)18(2)10-11-3-4-14(16)13(15)9-11/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyLZTRIISSVOHXCA-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.11
Rot. Bonds3

About N-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine

N-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 2838199) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID2838199
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H20BrFN2/c1-17-7-5-12(6-8-17)18(2)10-11-3-4-14(16)13(15)9-11/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyLZTRIISSVOHXCA-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 2431
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CID 763870
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CID 1377274
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CID 598770
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CID 16495045
CID 16495045
CID 882893
CID 882893
CID 793281
CID 793281
CID 6456385
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CID 10085970
CID 10085970
CID 44455795
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CID 137635057
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CID 137661547
CID 137661547

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine (CID 2838199) is N-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)Cc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is LZTRIISSVOHXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-17-7-5-12(6-8-17)18(2)10-11-3-4-14(16)13(15)9-11/h3-4,9,12H,5-8,10H2,1-2H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 315.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 2838199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).