1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine

C13H19BrN2 — CID 79396789

IUPAC1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine
SMILESCC1C(N)CCN(c2ccccc2Br)C1C
InChIInChI=1S/C13H19BrN2/c1-9-10(2)16(8-7-12(9)15)13-6-4-3-5-11(13)14/h3-6,9-10,12H,7-8,15H2,1-2H3
InChIKeyABNVHLCHJUDHFG-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.01
Rot. Bonds1

About 1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine

1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine (PubChem CID 79396789) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine
PubChem CID79396789
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine
SMILESCC1C(N)CCN(c2ccccc2Br)C1C
InChIInChI=1S/C13H19BrN2/c1-9-10(2)16(8-7-12(9)15)13-6-4-3-5-11(13)14/h3-6,9-10,12H,7-8,15H2,1-2H3
InChIKeyABNVHLCHJUDHFG-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine (CID 79396789) is 1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine is CC1C(N)CCN(c2ccccc2Br)C1C.
What is the InChIKey of 1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine?
The InChIKey is ABNVHLCHJUDHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-9-10(2)16(8-7-12(9)15)13-6-4-3-5-11(13)14/h3-6,9-10,12H,7-8,15H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine?
1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine has a molecular weight of 283.21 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79396789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).