(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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Related Compounds

(3S,4R)-3-(3,4-diethoxyphenyl)-1-methylpiperidin-4-amine;dihydrochloride
CID 70021699
[(3S,4R)-3-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-4-yl]urea
CID 163333315
2-(3,4-diethoxyphenyl)cyclopentan-1-amine
CID 62802273
4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82391825
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 82193026
3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine
CID 64908099
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907
5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
CID 82193334
(3R,4R)-1-methyl-3-phenylpiperidin-4-amine
CID 96750295
(3S,4R)-4-(3,4-dimethoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124858013
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-ethylpyrrolidin-2-one
CID 82193039
(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine
CID 45255008

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).