N-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine

C18H30N2O — CID 107852933

IUPACN-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(CCc2cccc(OC)c2)C(C)C1C
InChIInChI=1S/C18H30N2O/c1-5-19-18-10-12-20(15(3)14(18)2)11-9-16-7-6-8-17(13-16)21-4/h6-8,13-15,18-19H,5,9-12H2,1-4H3
InChIKeyPBIMPEMNJSYLKG-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.95
Rot. Bonds6

About N-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine

N-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine (PubChem CID 107852933) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine
PubChem CID107852933
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(CCc2cccc(OC)c2)C(C)C1C
InChIInChI=1S/C18H30N2O/c1-5-19-18-10-12-20(15(3)14(18)2)11-9-16-7-6-8-17(13-16)21-4/h6-8,13-15,18-19H,5,9-12H2,1-4H3
InChIKeyPBIMPEMNJSYLKG-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine
CID 79396800
2,3-dimethyl-1-(2-phenylethyl)-N-propylpiperidin-4-amine
CID 79398266
methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate
CID 107850027
N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 114507529
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
CID 107852949
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
1-methoxy-3-propylbenzene
CID 14270128
1-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79406628
1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725
N-ethyl-2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62604232
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397146

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine?
The IUPAC name of N-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine (CID 107852933) is N-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine is CCNC1CCN(CCc2cccc(OC)c2)C(C)C1C.
What is the InChIKey of N-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine?
The InChIKey is PBIMPEMNJSYLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-19-18-10-12-20(15(3)14(18)2)11-9-16-7-6-8-17(13-16)21-4/h6-8,13-15,18-19H,5,9-12H2,1-4H3.
What are the key properties of N-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine?
N-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine has a molecular weight of 290.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 107852933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).