2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine

C16H26N2O2 — CID 107390754

IUPAC2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCC(C)(OC)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-16(20-3)9-4-10-18(12-16)15(11-17)13-5-7-14(19-2)8-6-13/h5-8,15H,4,9-12,17H2,1-3H3
InChIKeyIOTCNNANNXXFMD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.20
Rot. Bonds5

About 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine

2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 107390754) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
PubChem CID107390754
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCC(C)(OC)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-16(20-3)9-4-10-18(12-16)15(11-17)13-5-7-14(19-2)8-6-13/h5-8,15H,4,9-12,17H2,1-3H3
InChIKeyIOTCNNANNXXFMD-UHFFFAOYSA-N
XLogP2.20
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107390778
2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65283416
2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391351
2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107390745
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 107390770
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 107391436
2-(2,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391282
2-(2-bromo-4-chlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391346
2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine
CID 107391309
2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 16642461
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine
CID 43581263

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine (CID 107390754) is 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(C(CN)N2CCCC(C)(OC)C2)cc1.
What is the InChIKey of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is IOTCNNANNXXFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(20-3)9-4-10-18(12-16)15(11-17)13-5-7-14(19-2)8-6-13/h5-8,15H,4,9-12,17H2,1-3H3.
What are the key properties of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine?
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 107390754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).