1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol

C17H27NO2 — CID 79037989

IUPAC1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
SMILESCOCC1CCN(CC(O)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C17H27NO2/c1-13-8-14(2)10-16(9-13)17(19)11-18-6-4-15(5-7-18)12-20-3/h8-10,15,17,19H,4-7,11-12H2,1-3H3
InChIKeyLGSGCNDTDLEVPN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.70
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol

1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol (PubChem CID 79037989) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
PubChem CID79037989
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
SMILESCOCC1CCN(CC(O)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C17H27NO2/c1-13-8-14(2)10-16(9-13)17(19)11-18-6-4-15(5-7-18)12-20-3/h8-10,15,17,19H,4-7,11-12H2,1-3H3
InChIKeyLGSGCNDTDLEVPN-UHFFFAOYSA-N
XLogP2.70
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 111118369
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol
CID 64597263
4-[1-hydroxy-2-[4-(methoxymethyl)piperidin-1-yl]ethyl]benzonitrile
CID 63971727
2-(azepan-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79040152
1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol
CID 79037737
1-(3,5-dimethylphenyl)-2-[4-(oxan-4-yloxy)piperidin-1-yl]ethanol
CID 111476827
1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111476808
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(3,5-dimethylphenyl)ethanol
CID 111487620
4-[1-hydroxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]benzonitrile
CID 64599116
2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79037151
1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 111476069
1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973652

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol (CID 79037989) is 1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol is COCC1CCN(CC(O)c2cc(C)cc(C)c2)CC1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol?
The InChIKey is LGSGCNDTDLEVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-8-14(2)10-16(9-13)17(19)11-18-6-4-15(5-7-18)12-20-3/h8-10,15,17,19H,4-7,11-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol?
1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.70, 5 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-[4-(methoxymethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 79037989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).