N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine

C17H28N2O — CID 79397981

IUPACN-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(c2cc(C)ccc2OC)C(C)C1C
InChIInChI=1S/C17H28N2O/c1-6-18-15-9-10-19(14(4)13(15)3)16-11-12(2)7-8-17(16)20-5/h7-8,11,13-15,18H,6,9-10H2,1-5H3
InChIKeyCNDBDTLWNLMZTG-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds4

About N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine

N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine (PubChem CID 79397981) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine
PubChem CID79397981
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(c2cc(C)ccc2OC)C(C)C1C
InChIInChI=1S/C17H28N2O/c1-6-18-15-9-10-19(14(4)13(15)3)16-11-12(2)7-8-17(16)20-5/h7-8,11,13-15,18H,6,9-10H2,1-5H3
InChIKeyCNDBDTLWNLMZTG-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397874
1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 82868076
1-(2,5-dichlorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397871
1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397443
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396570
1-(2-bromophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396641
2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
CID 79397861
1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79396532
1-(4-fluoro-2-methoxyphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79407907
1-(2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine
CID 43315083
1-(4-bromo-3-methoxyphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 82858848
1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane
CID 82290876

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine?
The IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine (CID 79397981) is N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine is CCNC1CCN(c2cc(C)ccc2OC)C(C)C1C.
What is the InChIKey of N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine?
The InChIKey is CNDBDTLWNLMZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-18-15-9-10-19(14(4)13(15)3)16-11-12(2)7-8-17(16)20-5/h7-8,11,13-15,18H,6,9-10H2,1-5H3.
What are the key properties of N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine?
N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79397981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).