1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol

C16H25NO2 — CID 82073694

IUPAC1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
SMILESCOc1ccc(C(O)CCN2CCCCC2C)cc1
InChIInChI=1S/C16H25NO2/c1-13-5-3-4-11-17(13)12-10-16(18)14-6-8-15(19-2)9-7-14/h6-9,13,16,18H,3-5,10-12H2,1-2H3
InChIKeyDUXRDFYAXSSJOH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol

1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol (PubChem CID 82073694) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
PubChem CID82073694
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
SMILESCOc1ccc(C(O)CCN2CCCCC2C)cc1
InChIInChI=1S/C16H25NO2/c1-13-5-3-4-11-17(13)12-10-16(18)14-6-8-15(19-2)9-7-14/h6-9,13,16,18H,3-5,10-12H2,1-2H3
InChIKeyDUXRDFYAXSSJOH-UHFFFAOYSA-N
XLogP2.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 62617437
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073686
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 82073755
3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82073567
1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62645250
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-methoxyphenyl)ethanol
CID 115824259
(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 10801648
1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine
CID 171934524
3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol
CID 82074571
1-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]propane-1,3-diol
CID 68750943

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol (CID 82073694) is 1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol is COc1ccc(C(O)CCN2CCCCC2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is DUXRDFYAXSSJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-5-3-4-11-17(13)12-10-16(18)14-6-8-15(19-2)9-7-14/h6-9,13,16,18H,3-5,10-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol?
1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 82073694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).