1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride

C22H36ClNO2 — CID 16798569

IUPAC1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCCC(C)N1CC(O)COc1ccc(C2CCCCC2)cc1.Cl
InChIInChI=1S/C22H35NO2.ClH/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;1H
InChIKeyQSYYPVPGXIWQRT-UHFFFAOYSA-N
MW381.99 g/mol
LogP5.16
Rot. Bonds6

About 1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride

1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 16798569) has the molecular formula C22H36ClNO2 and a molecular weight of 381.99 g/mol. Its IUPAC name is 1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID16798569
Molecular FormulaC22H36ClNO2
Molecular Weight381.99 g/mol
Exact Mass381.24
IUPAC Name1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCCC(C)N1CC(O)COc1ccc(C2CCCCC2)cc1.Cl
InChIInChI=1S/C22H35NO2.ClH/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;1H
InChIKeyQSYYPVPGXIWQRT-UHFFFAOYSA-N
XLogP5.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.99
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 6559964
(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-(4-cyclohexylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 44787153
(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 1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 16798569) is 1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride is CC1CCCC(C)N1CC(O)COc1ccc(C2CCCCC2)cc1.Cl.
What is the InChIKey of 1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is QSYYPVPGXIWQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2.ClH/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;1H.
What are the key properties of 1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 381.99 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 16798569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).