1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine

C19H31NO2 — CID 2934238

IUPAC1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
SMILESCc1cccc(OCCOCCN2CC(C)CC(C)C2)c1C
InChIInChI=1S/C19H31NO2/c1-15-12-16(2)14-20(13-15)8-9-21-10-11-22-19-7-5-6-17(3)18(19)4/h5-7,15-16H,8-14H2,1-4H3
InChIKeyRVGDAKXKLNSVBC-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.68
Rot. Bonds7

About 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine

1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine (PubChem CID 2934238) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
PubChem CID2934238
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
SMILESCc1cccc(OCCOCCN2CC(C)CC(C)C2)c1C
InChIInChI=1S/C19H31NO2/c1-15-12-16(2)14-20(13-15)8-9-21-10-11-22-19-7-5-6-17(3)18(19)4/h5-7,15-16H,8-14H2,1-4H3
InChIKeyRVGDAKXKLNSVBC-UHFFFAOYSA-N
XLogP3.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2300152
2-[2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride
CID 2993790
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine
CID 134154491
(3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
CID 2181589
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride
CID 134154490
2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline
CID 43174256
(3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine
CID 7377531
1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2934051
1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid
CID 2934230
1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 113226849
3,5-dimethyl-1-[2-[2-(3-phenoxyphenoxy)ethoxy]ethyl]piperidine;oxalic acid
CID 2935913
1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol
CID 127029872

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine (CID 2934238) is 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine is Cc1cccc(OCCOCCN2CC(C)CC(C)C2)c1C.
What is the InChIKey of 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine?
The InChIKey is RVGDAKXKLNSVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-15-12-16(2)14-20(13-15)8-9-21-10-11-22-19-7-5-6-17(3)18(19)4/h5-7,15-16H,8-14H2,1-4H3.
What are the key properties of 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine?
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine has a molecular weight of 305.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 2934238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).