2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine

C17H28N2O3 — CID 16642919

IUPAC2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(C(CN)N2CCC(C)CC2)cc(OC)c1OC
InChIInChI=1S/C17H28N2O3/c1-12-5-7-19(8-6-12)14(11-18)13-9-15(20-2)17(22-4)16(10-13)21-3/h9-10,12,14H,5-8,11,18H2,1-4H3
InChIKeyCWMXAWQKDZVRLX-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.44
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine

2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 16642919) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID16642919
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(C(CN)N2CCC(C)CC2)cc(OC)c1OC
InChIInChI=1S/C17H28N2O3/c1-12-5-7-19(8-6-12)14(11-18)13-9-15(20-2)17(22-4)16(10-13)21-3/h9-10,12,14H,5-8,11,18H2,1-4H3
InChIKeyCWMXAWQKDZVRLX-UHFFFAOYSA-N
XLogP2.44
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine (CID 16642919) is 2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine is COc1cc(C(CN)N2CCC(C)CC2)cc(OC)c1OC.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is CWMXAWQKDZVRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12-5-7-19(8-6-12)14(11-18)13-9-15(20-2)17(22-4)16(10-13)21-3/h9-10,12,14H,5-8,11,18H2,1-4H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine?
2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 308.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 16642919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).