N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine

C16H26N2O2 — CID 83021772

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
SMILESCOc1ccc(OCCNN2C(C)CCCC2C)cc1
InChIInChI=1S/C16H26N2O2/c1-13-5-4-6-14(2)18(13)17-11-12-20-16-9-7-15(19-3)8-10-16/h7-10,13-14,17H,4-6,11-12H2,1-3H3
InChIKeyOCWKHKDJVOBSER-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.84
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine

N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 83021772) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
PubChem CID83021772
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
SMILESCOc1ccc(OCCNN2C(C)CCCC2C)cc1
InChIInChI=1S/C16H26N2O2/c1-13-5-4-6-14(2)18(13)17-11-12-20-16-9-7-15(19-3)8-10-16/h7-10,13-14,17H,4-6,11-12H2,1-3H3
InChIKeyOCWKHKDJVOBSER-UHFFFAOYSA-N
XLogP2.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83021328
N-[(2,5-dimethoxyphenyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83010248
3-[2-[(2,6-dimethylpiperidin-1-yl)amino]ethoxy]benzoic acid
CID 103261089
3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 63042624
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-4-methoxyphenol
CID 83007608
N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776401
2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine
CID 83021013
N-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358262
2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine
CID 113357130
1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea
CID 47139552
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine (CID 83021772) is N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine is COc1ccc(OCCNN2C(C)CCCC2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is OCWKHKDJVOBSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-5-4-6-14(2)18(13)17-11-12-20-16-9-7-15(19-3)8-10-16/h7-10,13-14,17H,4-6,11-12H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine?
N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83021772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).