1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol

C21H27NO2 — CID 57295801

IUPAC1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol
SMILESOC(CN1CCCCC1)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C21H27NO2/c23-20(17-22-14-7-2-8-15-22)19-11-5-6-12-21(19)24-16-13-18-9-3-1-4-10-18/h1,3-6,9-12,20,23H,2,7-8,13-17H2
InChIKeyRFZGKJIIEXENRA-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.83
Rot. Bonds7

About 1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol

1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol (PubChem CID 57295801) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol
PubChem CID57295801
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol
SMILESOC(CN1CCCCC1)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C21H27NO2/c23-20(17-22-14-7-2-8-15-22)19-11-5-6-12-21(19)24-16-13-18-9-3-1-4-10-18/h1,3-6,9-12,20,23H,2,7-8,13-17H2
InChIKeyRFZGKJIIEXENRA-UHFFFAOYSA-N
XLogP3.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

1-[2-(2-piperidin-1-ylethoxy)phenyl]propan-1-ol
CID 43503527
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363
1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid
CID 82216400
4-phenyl-1-piperidin-1-ylbutan-2-ol
CID 57323966
(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol
CID 117063130
(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol
CID 104893874
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride
CID 3047655
(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63364786
1-[[4-(2-phenylethoxy)phenyl]methyl]piperidine
CID 15952241
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317
1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
CID 62974390

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol?
The IUPAC name of 1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol (CID 57295801) is 1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol.
What is the SMILES notation for 1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol?
The canonical SMILES for 1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol is OC(CN1CCCCC1)c1ccccc1OCCc1ccccc1.
What is the InChIKey of 1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol?
The InChIKey is RFZGKJIIEXENRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c23-20(17-22-14-7-2-8-15-22)19-11-5-6-12-21(19)24-16-13-18-9-3-1-4-10-18/h1,3-6,9-12,20,23H,2,7-8,13-17H2.
What are the key properties of 1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol?
1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol has a molecular weight of 325.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol is sourced from PubChem (CID 57295801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).