1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine

C21H25NO — CID 134126084

IUPAC1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine
SMILESCN1CCCC(COc2ccc(/C=C/c3ccccc3)cc2)C1
InChIInChI=1S/C21H25NO/c1-22-15-5-8-20(16-22)17-23-21-13-11-19(12-14-21)10-9-18-6-3-2-4-7-18/h2-4,6-7,9-14,20H,5,8,15-17H2,1H3/b10-9+
InChIKeyHYAJQJYTPZJEQM-MDZDMXLPSA-N
MW307.44 g/mol
LogP4.58
Rot. Bonds5

About 1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine

1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine (PubChem CID 134126084) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine.

Molecular Properties

Compound Name1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine
PubChem CID134126084
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine
SMILESCN1CCCC(COc2ccc(/C=C/c3ccccc3)cc2)C1
InChIInChI=1S/C21H25NO/c1-22-15-5-8-20(16-22)17-23-21-13-11-19(12-14-21)10-9-18-6-3-2-4-7-18/h2-4,6-7,9-14,20H,5,8,15-17H2,1H3/b10-9+
InChIKeyHYAJQJYTPZJEQM-MDZDMXLPSA-N
XLogP4.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenol
CID 165429310
1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine
CID 134126069
N-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide
CID 20763511
N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline
CID 71765317
2,3-dihydro-1,4-benzodioxine;(3S)-1-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidine;trifluoromethylbenzene
CID 142125090
(3S)-3-[(3-iodophenoxy)methyl]-1-methylpiperidine
CID 165429240
methyl 4-[(E)-3-oxo-3-[3-(phenoxymethyl)piperidin-1-yl]prop-1-enyl]benzoate
CID 86971190
1-chloro-3-[(4-phenylphenoxy)methyl]piperidine
CID 87276184
(2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane
CID 129392534
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride
CID 22872690
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076629

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine?
The IUPAC name of 1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine (CID 134126084) is 1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine.
What is the SMILES notation for 1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine?
The canonical SMILES for 1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine is CN1CCCC(COc2ccc(/C=C/c3ccccc3)cc2)C1.
What is the InChIKey of 1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine?
The InChIKey is HYAJQJYTPZJEQM-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H25NO/c1-22-15-5-8-20(16-22)17-23-21-13-11-19(12-14-21)10-9-18-6-3-2-4-7-18/h2-4,6-7,9-14,20H,5,8,15-17H2,1H3/b10-9+.
What are the key properties of 1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine?
1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine has a molecular weight of 307.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine is sourced from PubChem (CID 134126084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).