1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol

C21H27NO2 — CID 2939361

IUPAC1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
SMILESCC1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H27NO2/c1-17-11-13-22(14-12-17)15-20(23)16-24-21-9-7-19(8-10-21)18-5-3-2-4-6-18/h2-10,17,20,23H,11-16H2,1H3
InChIKeyIDFLLYMCUVPBPR-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.83
Rot. Bonds6

About 1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol

1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 2939361) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
PubChem CID2939361
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
SMILESCC1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H27NO2/c1-17-11-13-22(14-12-17)15-20(23)16-24-21-9-7-19(8-10-21)18-5-3-2-4-6-18/h2-10,17,20,23H,11-16H2,1H3
InChIKeyIDFLLYMCUVPBPR-UHFFFAOYSA-N
XLogP3.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.83
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-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 4914511
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 43253309
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone
CID 4551855
(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 753615
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol (CID 2939361) is 1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol is CC1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is IDFLLYMCUVPBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-17-11-13-22(14-12-17)15-20(23)16-24-21-9-7-19(8-10-21)18-5-3-2-4-6-18/h2-10,17,20,23H,11-16H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 325.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 2939361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).