(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine

C20H25NO2 — CID 171195092

IUPAC(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine
SMILESCCOc1cc([C@@H]2CCCCN2)ccc1OCc1ccccc1
InChIInChI=1S/C20H25NO2/c1-2-22-20-14-17(18-10-6-7-13-21-18)11-12-19(20)23-15-16-8-4-3-5-9-16/h3-5,8-9,11-12,14,18,21H,2,6-7,10,13,15H2,1H3/t18-/m0/s1
InChIKeyHAIXFLDQZNXTOE-SFHVURJKSA-N
MW311.43 g/mol
LogP4.48
Rot. Bonds6

About (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine

(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine (PubChem CID 171195092) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine
PubChem CID171195092
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine
SMILESCCOc1cc([C@@H]2CCCCN2)ccc1OCc1ccccc1
InChIInChI=1S/C20H25NO2/c1-2-22-20-14-17(18-10-6-7-13-21-18)11-12-19(20)23-15-16-8-4-3-5-9-16/h3-5,8-9,11-12,14,18,21H,2,6-7,10,13,15H2,1H3/t18-/m0/s1
InChIKeyHAIXFLDQZNXTOE-SFHVURJKSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193308
(2S)-2-(3,4-diphenoxyphenyl)piperidine
CID 171194795
(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196054
(2S)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196463
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171194691
(3R)-3-(3-methoxy-4-phenylmethoxyphenyl)morpholine
CID 171192902
2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 17389892
(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 171194884
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 28773010
(3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193382

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine?
The IUPAC name of (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine (CID 171195092) is (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine.
What is the SMILES notation for (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine?
The canonical SMILES for (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine is CCOc1cc([C@@H]2CCCCN2)ccc1OCc1ccccc1.
What is the InChIKey of (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine?
The InChIKey is HAIXFLDQZNXTOE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25NO2/c1-2-22-20-14-17(18-10-6-7-13-21-18)11-12-19(20)23-15-16-8-4-3-5-9-16/h3-5,8-9,11-12,14,18,21H,2,6-7,10,13,15H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine?
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine has a molecular weight of 311.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine is sourced from PubChem (CID 171195092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).