1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol

C22H29NO2 — CID 4914511

IUPAC1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
SMILESCC1CC(C)CN(CC(O)COc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C22H29NO2/c1-17-12-18(2)14-23(13-17)15-21(24)16-25-22-10-8-20(9-11-22)19-6-4-3-5-7-19/h3-11,17-18,21,24H,12-16H2,1-2H3
InChIKeyMMIRJOKAHDIIIE-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.07
Rot. Bonds6

About 1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol

1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 4914511) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
PubChem CID4914511
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
SMILESCC1CC(C)CN(CC(O)COc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C22H29NO2/c1-17-12-18(2)14-23(13-17)15-21(24)16-25-22-10-8-20(9-11-22)19-6-4-3-5-7-19/h3-11,17-18,21,24H,12-16H2,1-2H3
InChIKeyMMIRJOKAHDIIIE-UHFFFAOYSA-N
XLogP4.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 51422999
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
(2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 42559881
1-(4-tert-butylphenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3415688
1-[4-[(2S)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 7157868
N-[4-[(2S)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 51422964
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 829491
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 42219804
(2S)-1-(3,5-dimethylphenoxy)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 93325171
(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 27044185
(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 7314452

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol (CID 4914511) is 1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol is CC1CC(C)CN(CC(O)COc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is MMIRJOKAHDIIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-17-12-18(2)14-23(13-17)15-21(24)16-25-22-10-8-20(9-11-22)19-6-4-3-5-7-19/h3-11,17-18,21,24H,12-16H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 339.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 4914511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).