2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol

C16H25NO2 — CID 117024701

IUPAC2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol
SMILESCOc1cccc(N2CCC(CCO)C(C)(C)C2)c1
InChIInChI=1S/C16H25NO2/c1-16(2)12-17(9-7-13(16)8-10-18)14-5-4-6-15(11-14)19-3/h4-6,11,13,18H,7-10,12H2,1-3H3
InChIKeyISTSXUHAFKEGGB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.93
Rot. Bonds4

About 2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol

2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol (PubChem CID 117024701) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol
PubChem CID117024701
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol
SMILESCOc1cccc(N2CCC(CCO)C(C)(C)C2)c1
InChIInChI=1S/C16H25NO2/c1-16(2)12-17(9-7-13(16)8-10-18)14-5-4-6-15(11-14)19-3/h4-6,11,13,18H,7-10,12H2,1-3H3
InChIKeyISTSXUHAFKEGGB-UHFFFAOYSA-N
XLogP2.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
CID 117024761
[1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol
CID 117024971
2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine
CID 117024822
2-[1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
CID 117024762
methyl 3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)benzoate
CID 117024249
(3S)-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875723
[(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol
CID 97140954
3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine
CID 115042632
2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45206216
1-(3-methoxyphenyl)azepane
CID 57276431
[1-(4-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol
CID 117024959
3,3-diethyl-1-(3-methoxyphenyl)piperazine
CID 64926809

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol (CID 117024701) is 2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol is COc1cccc(N2CCC(CCO)C(C)(C)C2)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol?
The InChIKey is ISTSXUHAFKEGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2)12-17(9-7-13(16)8-10-18)14-5-4-6-15(11-14)19-3/h4-6,11,13,18H,7-10,12H2,1-3H3.
What are the key properties of 2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol?
2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol is sourced from PubChem (CID 117024701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).