1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine

C17H27NO3 — CID 2934115

IUPAC1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
SMILESCOc1ccccc1OCCOCCN1CCCC(C)C1
InChIInChI=1S/C17H27NO3/c1-15-6-5-9-18(14-15)10-11-20-12-13-21-17-8-4-3-7-16(17)19-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
InChIKeyNNTARELTETYMDF-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.82
Rot. Bonds8

About 1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine

1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine (PubChem CID 2934115) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
PubChem CID2934115
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
SMILESCOc1ccccc1OCCOCCN1CCCC(C)C1
InChIInChI=1S/C17H27NO3/c1-15-6-5-9-18(14-15)10-11-20-12-13-21-17-8-4-3-7-16(17)19-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
InChIKeyNNTARELTETYMDF-UHFFFAOYSA-N
XLogP2.82
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.82
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

(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2182375
1-[2-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394124
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-amine;hydrochloride
CID 119910302
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine
CID 77147850
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915924
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzaldehyde
CID 7379356
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzoic acid
CID 40801831
3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid
CID 2934743
(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2300152
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine?
The IUPAC name of 1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine (CID 2934115) is 1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine.
What is the SMILES notation for 1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine?
The canonical SMILES for 1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine is COc1ccccc1OCCOCCN1CCCC(C)C1.
What is the InChIKey of 1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine?
The InChIKey is NNTARELTETYMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-15-6-5-9-18(14-15)10-11-20-12-13-21-17-8-4-3-7-16(17)19-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3.
What are the key properties of 1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine?
1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine has a molecular weight of 293.41 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine is sourced from PubChem (CID 2934115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).