1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol

C18H29NO2 — CID 111476808

IUPAC1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol
SMILESCCOCC1CCCN(CC(O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C18H29NO2/c1-4-21-13-16-6-5-7-19(11-16)12-18(20)17-9-14(2)8-15(3)10-17/h8-10,16,18,20H,4-7,11-13H2,1-3H3
InChIKeySKVMRLQEINIGJQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.09
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol

1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol (PubChem CID 111476808) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol
PubChem CID111476808
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol
SMILESCCOCC1CCCN(CC(O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C18H29NO2/c1-4-21-13-16-6-5-7-19(11-16)12-18(20)17-9-14(2)8-15(3)10-17/h8-10,16,18,20H,4-7,11-13H2,1-3H3
InChIKeySKVMRLQEINIGJQ-UHFFFAOYSA-N
XLogP3.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 79037989
1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
CID 106586078
2-(azepan-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79040152
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
ethane;3-(ethoxymethyl)-1-ethylpiperidine
CID 144871592
1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol
CID 62265432
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 111148127
3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 106589114
ethyl 2-[1-[(2R)-2-(4-cyanophenyl)-2-hydroxyethyl]piperidin-3-yl]acetate
CID 66955120
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol
CID 64597263
1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol
CID 79037737
1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 103502832

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol (CID 111476808) is 1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol is CCOCC1CCCN(CC(O)c2cc(C)cc(C)c2)C1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol?
The InChIKey is SKVMRLQEINIGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-21-13-16-6-5-7-19(11-16)12-18(20)17-9-14(2)8-15(3)10-17/h8-10,16,18,20H,4-7,11-13H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol?
1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol has a molecular weight of 291.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 111476808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).