N-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine

C16H25BrN2 — CID 54863711

IUPACN-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCc1cc(Br)cc(C)c1NC1CC(C)N(C)CC1C
InChIInChI=1S/C16H25BrN2/c1-10-6-14(17)7-11(2)16(10)18-15-8-13(4)19(5)9-12(15)3/h6-7,12-13,15,18H,8-9H2,1-5H3
InChIKeyVUUSOYVAGBBZEF-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.21
Rot. Bonds2

About N-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine

N-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 54863711) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine
PubChem CID54863711
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCc1cc(Br)cc(C)c1NC1CC(C)N(C)CC1C
InChIInChI=1S/C16H25BrN2/c1-10-6-14(17)7-11(2)16(10)18-15-8-13(4)19(5)9-12(15)3/h6-7,12-13,15,18H,8-9H2,1-5H3
InChIKeyVUUSOYVAGBBZEF-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine (CID 54863711) is N-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine is Cc1cc(Br)cc(C)c1NC1CC(C)N(C)CC1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is VUUSOYVAGBBZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-10-6-14(17)7-11(2)16(10)18-15-8-13(4)19(5)9-12(15)3/h6-7,12-13,15,18H,8-9H2,1-5H3.
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine?
N-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 325.29 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 54863711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).