1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine

C16H25BrN2O — CID 82868076

IUPAC1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(c2ccc(Br)c(OC)c2)C(C)C1C
InChIInChI=1S/C16H25BrN2O/c1-5-18-15-8-9-19(12(3)11(15)2)13-6-7-14(17)16(10-13)20-4/h6-7,10-12,15,18H,5,8-9H2,1-4H3
InChIKeyKCZSSPYEFFVABU-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine

1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine (PubChem CID 82868076) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
PubChem CID82868076
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(c2ccc(Br)c(OC)c2)C(C)C1C
InChIInChI=1S/C16H25BrN2O/c1-5-18-15-8-9-19(12(3)11(15)2)13-6-7-14(17)16(10-13)20-4/h6-7,10-12,15,18H,5,8-9H2,1-4H3
InChIKeyKCZSSPYEFFVABU-UHFFFAOYSA-N
XLogP3.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methoxyphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 82858848
N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine
CID 79397981
1-(2-bromophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396641
1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397874
1-(4-bromo-3-methoxyphenyl)-3-phenylpyrrolidine-2-carbaldehyde
CID 174799847
2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
CID 79397861
(2S)-1-(4-bromo-3-methoxyphenyl)-2-methylpiperazine
CID 142683631
1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397433
1-(2,5-dichlorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397871
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396570
1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79397573
1-(4-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79396906

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine (CID 82868076) is 1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine is CCNC1CCN(c2ccc(Br)c(OC)c2)C(C)C1C.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
The InChIKey is KCZSSPYEFFVABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-5-18-15-8-9-19(12(3)11(15)2)13-6-7-14(17)16(10-13)20-4/h6-7,10-12,15,18H,5,8-9H2,1-4H3.
What are the key properties of 1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine has a molecular weight of 341.29 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 82868076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).