(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine

C19H31NO3 — CID 2300152

IUPAC(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
SMILESCCOc1ccccc1OCCOCCN1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C19H31NO3/c1-4-22-18-7-5-6-8-19(18)23-12-11-21-10-9-20-14-16(2)13-17(3)15-20/h5-8,16-17H,4,9-15H2,1-3H3/t16-,17+
InChIKeyOFFPUJGGOWRIQW-CALCHBBNSA-N
MW321.46 g/mol
LogP3.46
Rot. Bonds9

About (3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine

(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine (PubChem CID 2300152) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is (3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
PubChem CID2300152
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
SMILESCCOc1ccccc1OCCOCCN1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C19H31NO3/c1-4-22-18-7-5-6-8-19(18)23-12-11-21-10-9-20-14-16(2)13-17(3)15-20/h5-8,16-17H,4,9-15H2,1-3H3/t16-,17+
InChIKeyOFFPUJGGOWRIQW-CALCHBBNSA-N
XLogP3.46
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride
CID 2993790
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2934238
1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2934051
2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline
CID 43174256
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2934115
1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 30075978
(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184451
4-methyl-1-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 40573611
(3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine
CID 7377531
1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2934641
1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine
CID 82215146

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine?
The IUPAC name of (3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine (CID 2300152) is (3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine.
What is the SMILES notation for (3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine?
The canonical SMILES for (3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine is CCOc1ccccc1OCCOCCN1C[C@H](C)C[C@H](C)C1.
What is the InChIKey of (3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine?
The InChIKey is OFFPUJGGOWRIQW-CALCHBBNSA-N. The full InChI is InChI=1S/C19H31NO3/c1-4-22-18-7-5-6-8-19(18)23-12-11-21-10-9-20-14-16(2)13-17(3)15-20/h5-8,16-17H,4,9-15H2,1-3H3/t16-,17+.
What are the key properties of (3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine?
(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine has a molecular weight of 321.46 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 2300152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).