(3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine

C15H24N2O2 — CID 70021225

IUPAC(3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine
SMILESCCOc1ccc([C@@H]2CN(C)CC[C@@H]2N)cc1OC
InChIInChI=1S/C15H24N2O2/c1-4-19-14-6-5-11(9-15(14)18-3)12-10-17(2)8-7-13(12)16/h5-6,9,12-13H,4,7-8,10,16H2,1-3H3/t12-,13-/m0/s1
InChIKeyMKURSKZGLBHSMT-STQMWFEESA-N
MW264.37 g/mol
LogP1.84
Rot. Bonds4

About (3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine

(3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine (PubChem CID 70021225) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine
PubChem CID70021225
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine
SMILESCCOc1ccc([C@@H]2CN(C)CC[C@@H]2N)cc1OC
InChIInChI=1S/C15H24N2O2/c1-4-19-14-6-5-11(9-15(14)18-3)12-10-17(2)8-7-13(12)16/h5-6,9,12-13H,4,7-8,10,16H2,1-3H3/t12-,13-/m0/s1
InChIKeyMKURSKZGLBHSMT-STQMWFEESA-N
XLogP1.84
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine?
The IUPAC name of (3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine (CID 70021225) is (3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for (3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine?
The canonical SMILES for (3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine is CCOc1ccc([C@@H]2CN(C)CC[C@@H]2N)cc1OC.
What is the InChIKey of (3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine?
The InChIKey is MKURSKZGLBHSMT-STQMWFEESA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-19-14-6-5-11(9-15(14)18-3)12-10-17(2)8-7-13(12)16/h5-6,9,12-13H,4,7-8,10,16H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine?
(3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 70021225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).