3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol

C17H27NO2 — CID 106589114

IUPAC3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
SMILESCOCC1CCCN(CCC(O)c2ccc(C)cc2)C1
InChIInChI=1S/C17H27NO2/c1-14-5-7-16(8-6-14)17(19)9-11-18-10-3-4-15(12-18)13-20-2/h5-8,15,17,19H,3-4,9-13H2,1-2H3
InChIKeyWJNLICSSBBPYNM-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.78
Rot. Bonds6

About 3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol

3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol (PubChem CID 106589114) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
PubChem CID106589114
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
SMILESCOCC1CCCN(CCC(O)c2ccc(C)cc2)C1
InChIInChI=1S/C17H27NO2/c1-14-5-7-16(8-6-14)17(19)9-11-18-10-3-4-15(12-18)13-20-2/h5-8,15,17,19H,3-4,9-13H2,1-2H3
InChIKeyWJNLICSSBBPYNM-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 113418919
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
CID 106586509
1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
CID 106586078
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073686
1-(4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967568
3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62617209
5-[3-(methoxymethyl)piperidin-1-yl]pentan-2-ol
CID 103274720
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
(1R)-3-(3-aminopiperidin-1-yl)-1-phenylpropan-1-ol
CID 112742222
1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073524
1-(4-tert-butylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82105507

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol (CID 106589114) is 3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol is COCC1CCCN(CCC(O)c2ccc(C)cc2)C1.
What is the InChIKey of 3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol?
The InChIKey is WJNLICSSBBPYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-5-7-16(8-6-14)17(19)9-11-18-10-3-4-15(12-18)13-20-2/h5-8,15,17,19H,3-4,9-13H2,1-2H3.
What are the key properties of 3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol?
3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 106589114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).