1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol

C17H27NO2 — CID 4728819

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CN2C(C)CCCC2C)c1
InChIInChI=1S/C17H27NO2/c1-13-6-4-9-17(10-13)20-12-16(19)11-18-14(2)7-5-8-15(18)3/h4,6,9-10,14-16,19H,5,7-8,11-12H2,1-3H3
InChIKeySSKLSJSAMGIPNT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.00
Rot. Bonds5

About 1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol

1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol (PubChem CID 4728819) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol
PubChem CID4728819
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CN2C(C)CCCC2C)c1
InChIInChI=1S/C17H27NO2/c1-13-6-4-9-17(10-13)20-12-16(19)11-18-14(2)7-5-8-15(18)3/h4,6,9-10,14-16,19H,5,7-8,11-12H2,1-3H3
InChIKeySSKLSJSAMGIPNT-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[4-[(2S)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 124721948
1-(2,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2770301
(2S)-1-(2,4-dimethylphenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 11863217
(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 6544613
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 34065973
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 3412059
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
(2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 6981695
(2S)-1-(4-aminophenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 7064804
(2S)-1-(4-aminophenoxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 7064800
(2S)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[2-(3-methoxyphenoxy)ethoxy]propan-2-ol
CID 7165322
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 6591950

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol (CID 4728819) is 1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CN2C(C)CCCC2C)c1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is SSKLSJSAMGIPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-6-4-9-17(10-13)20-12-16(19)11-18-14(2)7-5-8-15(18)3/h4,6,9-10,14-16,19H,5,7-8,11-12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol?
1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 4728819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).