N-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine

C17H28N2O — CID 43739091

IUPACN-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCOc1c(C)ccc(NC2CC(C)N(C)CC2C)c1C
InChIInChI=1S/C17H28N2O/c1-11-7-8-15(14(4)17(11)20-6)18-16-9-13(3)19(5)10-12(16)2/h7-8,12-13,16,18H,9-10H2,1-6H3
InChIKeyYFZZFCAMHABKCB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.45
Rot. Bonds3

About N-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine

N-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 43739091) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine
PubChem CID43739091
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCOc1c(C)ccc(NC2CC(C)N(C)CC2C)c1C
InChIInChI=1S/C17H28N2O/c1-11-7-8-15(14(4)17(11)20-6)18-16-9-13(3)19(5)10-12(16)2/h7-8,12-13,16,18H,9-10H2,1-6H3
InChIKeyYFZZFCAMHABKCB-UHFFFAOYSA-N
XLogP3.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine (CID 43739091) is N-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine is COc1c(C)ccc(NC2CC(C)N(C)CC2C)c1C.
What is the InChIKey of N-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is YFZZFCAMHABKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-11-7-8-15(14(4)17(11)20-6)18-16-9-13(3)19(5)10-12(16)2/h7-8,12-13,16,18H,9-10H2,1-6H3.
What are the key properties of N-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine?
N-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 43739091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).