4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol

C19H32N2O3 — CID 3105295

IUPAC4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol
SMILESCOc1ccc(CNCCC2(O)CC(C)N(C)CC2C)cc1OC
InChIInChI=1S/C19H32N2O3/c1-14-13-21(3)15(2)11-19(14,22)8-9-20-12-16-6-7-17(23-4)18(10-16)24-5/h6-7,10,14-15,20,22H,8-9,11-13H2,1-5H3
InChIKeyXHIDEXZXYXIKAG-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.27
Rot. Bonds7

About 4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol

4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol (PubChem CID 3105295) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol
PubChem CID3105295
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol
SMILESCOc1ccc(CNCCC2(O)CC(C)N(C)CC2C)cc1OC
InChIInChI=1S/C19H32N2O3/c1-14-13-21(3)15(2)11-19(14,22)8-9-20-12-16-6-7-17(23-4)18(10-16)24-5/h6-7,10,14-15,20,22H,8-9,11-13H2,1-5H3
InChIKeyXHIDEXZXYXIKAG-UHFFFAOYSA-N
XLogP2.27
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol;dihydrochloride
CID 90485071
N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethanamine
CID 7352882
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine
CID 3489229
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 60688002
3-[[(3,4-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268322
(3,4-dimethoxyphenyl)methyl-[2-[(2R,4S,5R)-4-hydroxy-1,2,5-trimethylpiperidin-1-ium-4-yl]ethyl]azanium
CID 7273743
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115639482
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide
CID 72905576
(2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol
CID 7358544
(2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 6544101
N'-[(3,4-dimethoxyphenyl)methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17294501

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol?
The IUPAC name of 4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol (CID 3105295) is 4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol.
What is the SMILES notation for 4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol?
The canonical SMILES for 4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol is COc1ccc(CNCCC2(O)CC(C)N(C)CC2C)cc1OC.
What is the InChIKey of 4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol?
The InChIKey is XHIDEXZXYXIKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-14-13-21(3)15(2)11-19(14,22)8-9-20-12-16-6-7-17(23-4)18(10-16)24-5/h6-7,10,14-15,20,22H,8-9,11-13H2,1-5H3.
What are the key properties of 4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol?
4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol has a molecular weight of 336.48 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 3105295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).