(2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol

C22H35NO2 — CID 6559964

IUPAC(2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
SMILESC[C@@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H35NO2/c1-17-7-6-8-18(2)23(17)15-21(24)16-25-22-13-11-20(12-14-22)19-9-4-3-5-10-19/h11-14,17-19,21,24H,3-10,15-16H2,1-2H3/t17-,18-,21+/m1/s1
InChIKeyCHJINILHYQKWHZ-OPYAIIAOSA-N
MW345.53 g/mol
LogP4.74
Rot. Bonds6

About (2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol

(2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol (PubChem CID 6559964) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is (2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
PubChem CID6559964
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name(2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
SMILESC[C@@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H35NO2/c1-17-7-6-8-18(2)23(17)15-21(24)16-25-22-13-11-20(12-14-22)19-9-4-3-5-10-19/h11-14,17-19,21,24H,3-10,15-16H2,1-2H3/t17-,18-,21+/m1/s1
InChIKeyCHJINILHYQKWHZ-OPYAIIAOSA-N
XLogP4.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 16798569
(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
(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
(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 34065291
1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 3615080
(2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7064341
(2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 6559963
1-[4-[(2S)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 51566506
1-(4-cyclohexylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol dichloride
CID 46863733
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 3412059
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 34065973

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol (CID 6559964) is (2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol is C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(C2CCCCC2)cc1.
What is the InChIKey of (2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol?
The InChIKey is CHJINILHYQKWHZ-OPYAIIAOSA-N. The full InChI is InChI=1S/C22H35NO2/c1-17-7-6-8-18(2)23(17)15-21(24)16-25-22-13-11-20(12-14-22)19-9-4-3-5-10-19/h11-14,17-19,21,24H,3-10,15-16H2,1-2H3/t17-,18-,21+/m1/s1.
What are the key properties of (2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol?
(2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol has a molecular weight of 345.53 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 6559964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).