1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine

C21H27NO — CID 57240219

IUPAC1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine
SMILESCCOc1cccc(-c2ccccc2)c1CCN1CCCCC1
InChIInChI=1S/C21H27NO/c1-2-23-21-13-9-12-19(18-10-5-3-6-11-18)20(21)14-17-22-15-7-4-8-16-22/h3,5-6,9-13H,2,4,7-8,14-17H2,1H3
InChIKeyALQOOKUCKVIEHI-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.78
Rot. Bonds6

About 1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine

1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine (PubChem CID 57240219) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine
PubChem CID57240219
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine
SMILESCCOc1cccc(-c2ccccc2)c1CCN1CCCCC1
InChIInChI=1S/C21H27NO/c1-2-23-21-13-9-12-19(18-10-5-3-6-11-18)20(21)14-17-22-15-7-4-8-16-22/h3,5-6,9-13H,2,4,7-8,14-17H2,1H3
InChIKeyALQOOKUCKVIEHI-UHFFFAOYSA-N
XLogP4.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-ethoxyphenyl)ethyl]piperidine
CID 21117435
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43108073
1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 58514237
1-[(2-ethoxynaphthalen-1-yl)methyl]piperidine
CID 141150961
benzyl N-[(1R)-1-[1-[2-(2-chloro-6-phenylphenyl)ethyl]piperidin-4-yl]-2-[4-[(2-ethoxy-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 176882446
1-(2,6-diethoxyphenyl)piperidine
CID 12585905
2-amino-1-[4-[(2-ethoxy-6-fluorophenyl)methyl]piperazin-1-yl]-2-[1-[2-(2-phenylphenyl)ethyl]piperidin-4-yl]ethanone
CID 174213041
1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71678171
4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83173234
1-[2-(2-piperidin-1-ylethoxy)phenyl]propan-1-ol
CID 43503527
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine?
The IUPAC name of 1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine (CID 57240219) is 1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine?
The canonical SMILES for 1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine is CCOc1cccc(-c2ccccc2)c1CCN1CCCCC1.
What is the InChIKey of 1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine?
The InChIKey is ALQOOKUCKVIEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-2-23-21-13-9-12-19(18-10-5-3-6-11-18)20(21)14-17-22-15-7-4-8-16-22/h3,5-6,9-13H,2,4,7-8,14-17H2,1H3.
What are the key properties of 1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine?
1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine has a molecular weight of 309.45 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine is sourced from PubChem (CID 57240219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).