1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine

C14H21BrN2 — CID 117019252

IUPAC1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine
SMILESCc1cc(Br)ccc1N1CCCC(N)C1(C)C
InChIInChI=1S/C14H21BrN2/c1-10-9-11(15)6-7-12(10)17-8-4-5-13(16)14(17,2)3/h6-7,9,13H,4-5,8,16H2,1-3H3
InChIKeyREWATEOCJWVISE-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.46
Rot. Bonds1

About 1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine

1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine (PubChem CID 117019252) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine
PubChem CID117019252
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine
SMILESCc1cc(Br)ccc1N1CCCC(N)C1(C)C
InChIInChI=1S/C14H21BrN2/c1-10-9-11(15)6-7-12(10)17-8-4-5-13(16)14(17,2)3/h6-7,9,13H,4-5,8,16H2,1-3H3
InChIKeyREWATEOCJWVISE-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine (CID 117019252) is 1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine is Cc1cc(Br)ccc1N1CCCC(N)C1(C)C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine?
The InChIKey is REWATEOCJWVISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10-9-11(15)6-7-12(10)17-8-4-5-13(16)14(17,2)3/h6-7,9,13H,4-5,8,16H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine?
1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine has a molecular weight of 297.24 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine is sourced from PubChem (CID 117019252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).