1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol

C22H29NO2 — CID 43865699

IUPAC1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol
SMILESOC(COCC(c1ccccc1)c1ccccc1)CN1CCCCC1
InChIInChI=1S/C22H29NO2/c24-21(16-23-14-8-3-9-15-23)17-25-18-22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,21-22,24H,3,8-9,14-18H2
InChIKeyBYAFBBIJEKEDLZ-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.68
Rot. Bonds8

About 1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol

1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol (PubChem CID 43865699) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol
PubChem CID43865699
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol
SMILESOC(COCC(c1ccccc1)c1ccccc1)CN1CCCCC1
InChIInChI=1S/C22H29NO2/c24-21(16-23-14-8-3-9-15-23)17-25-18-22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,21-22,24H,3,8-9,14-18H2
InChIKeyBYAFBBIJEKEDLZ-UHFFFAOYSA-N
XLogP3.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 51975293
(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol
CID 7388824
1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2988766
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol
CID 7393596
(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol (CID 43865699) is 1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol is OC(COCC(c1ccccc1)c1ccccc1)CN1CCCCC1.
What is the InChIKey of 1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol?
The InChIKey is BYAFBBIJEKEDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c24-21(16-23-14-8-3-9-15-23)17-25-18-22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,21-22,24H,3,8-9,14-18H2.
What are the key properties of 1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol?
1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol has a molecular weight of 339.48 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 43865699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).