3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine

C20H25NO2 — CID 68596615

IUPAC3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine
SMILESCC(Oc1ccccc1OCc1ccccc1)C1CCCNC1
InChIInChI=1S/C20H25NO2/c1-16(18-10-7-13-21-14-18)23-20-12-6-5-11-19(20)22-15-17-8-3-2-4-9-17/h2-6,8-9,11-12,16,18,21H,7,10,13-15H2,1H3
InChIKeyVYZXLAFCCJRWMX-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.03
Rot. Bonds6

About 3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine

3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine (PubChem CID 68596615) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine
PubChem CID68596615
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine
SMILESCC(Oc1ccccc1OCc1ccccc1)C1CCCNC1
InChIInChI=1S/C20H25NO2/c1-16(18-10-7-13-21-14-18)23-20-12-6-5-11-19(20)22-15-17-8-3-2-4-9-17/h2-6,8-9,11-12,16,18,21H,7,10,13-15H2,1H3
InChIKeyVYZXLAFCCJRWMX-UHFFFAOYSA-N
XLogP4.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine
CID 68596370
2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 77226019
4-phenylmethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473948
1-(1-bromoethoxy)-2-phenylmethoxybenzene
CID 89045446
1-(1-methoxyethoxy)-2-phenylmethoxybenzene
CID 22756308
2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine
CID 68596518
piperidin-3-yl-(2-propan-2-yloxyphenyl)methanol
CID 80559408
3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine
CID 112565466
2-[(S)-phenyl-(2-phenylmethoxyphenoxy)methyl]morpholine
CID 68545339
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
N-(2-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 54794739
2-phenylmethoxy-4-piperidin-3-ylphenol
CID 117455625

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine?
The IUPAC name of 3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine (CID 68596615) is 3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine.
What is the SMILES notation for 3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine?
The canonical SMILES for 3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine is CC(Oc1ccccc1OCc1ccccc1)C1CCCNC1.
What is the InChIKey of 3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine?
The InChIKey is VYZXLAFCCJRWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-16(18-10-7-13-21-14-18)23-20-12-6-5-11-19(20)22-15-17-8-3-2-4-9-17/h2-6,8-9,11-12,16,18,21H,7,10,13-15H2,1H3.
What are the key properties of 3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine?
3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine has a molecular weight of 311.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine is sourced from PubChem (CID 68596615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).