3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol

C19H31NO2 — CID 82073989

IUPAC3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol
SMILESCCOc1ccc(C)cc1C(O)CCN1CC(C)CC(C)C1
InChIInChI=1S/C19H31NO2/c1-5-22-19-7-6-14(2)11-17(19)18(21)8-9-20-12-15(3)10-16(4)13-20/h6-7,11,15-16,18,21H,5,8-10,12-13H2,1-4H3
InChIKeyDPBVDJVXTHCBPI-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.80
Rot. Bonds6

About 3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol

3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol (PubChem CID 82073989) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol
PubChem CID82073989
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol
SMILESCCOc1ccc(C)cc1C(O)CCN1CC(C)CC(C)C1
InChIInChI=1S/C19H31NO2/c1-5-22-19-7-6-14(2)11-17(19)18(21)8-9-20-12-15(3)10-16(4)13-20/h6-7,11,15-16,18,21H,5,8-10,12-13H2,1-4H3
InChIKeyDPBVDJVXTHCBPI-UHFFFAOYSA-N
XLogP3.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60980968
1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073865
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158041
methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate
CID 82347110
1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 63953787
2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol
CID 82216742
2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol
CID 64728823
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
1-(2-tert-butyl-4-methylphenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3416270
1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
CID 82065379

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol (CID 82073989) is 3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol is CCOc1ccc(C)cc1C(O)CCN1CC(C)CC(C)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol?
The InChIKey is DPBVDJVXTHCBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-5-22-19-7-6-14(2)11-17(19)18(21)8-9-20-12-15(3)10-16(4)13-20/h6-7,11,15-16,18,21H,5,8-10,12-13H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol?
3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol has a molecular weight of 305.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 82073989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).