1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol

C18H29NO2 — CID 82216877

IUPAC1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol
SMILESCOc1ccc(C(C)C)cc1C(O)CN1CCCCC1C
InChIInChI=1S/C18H29NO2/c1-13(2)15-8-9-18(21-4)16(11-15)17(20)12-19-10-6-5-7-14(19)3/h8-9,11,13-14,17,20H,5-7,10,12H2,1-4H3
InChIKeyMUXOWAJIYPNPAZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.73
Rot. Bonds5

About 1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol

1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol (PubChem CID 82216877) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol
PubChem CID82216877
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol
SMILESCOc1ccc(C(C)C)cc1C(O)CN1CCCCC1C
InChIInChI=1S/C18H29NO2/c1-13(2)15-8-9-18(21-4)16(11-15)17(20)12-19-10-6-5-7-14(19)3/h8-9,11,13-14,17,20H,5-7,10,12H2,1-4H3
InChIKeyMUXOWAJIYPNPAZ-UHFFFAOYSA-N
XLogP3.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanol
CID 62332362
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanol
CID 95153941
1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 163636974
1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 574512
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82216675
1-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82217054
(1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95609211
1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 82073694
(1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol
CID 129392359
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
(2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 2370312
1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 16793434

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol (CID 82216877) is 1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol is COc1ccc(C(C)C)cc1C(O)CN1CCCCC1C.
What is the InChIKey of 1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol?
The InChIKey is MUXOWAJIYPNPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(2)15-8-9-18(21-4)16(11-15)17(20)12-19-10-6-5-7-14(19)3/h8-9,11,13-14,17,20H,5-7,10,12H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol?
1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol has a molecular weight of 291.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol is sourced from PubChem (CID 82216877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).