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

C20H23NO — CID 134126069

IUPAC1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine
SMILESCN1CCCC(Oc2ccc(/C=C/c3ccccc3)cc2)C1
InChIInChI=1S/C20H23NO/c1-21-15-5-8-20(16-21)22-19-13-11-18(12-14-19)10-9-17-6-3-2-4-7-17/h2-4,6-7,9-14,20H,5,8,15-16H2,1H3/b10-9+
InChIKeyGIRCRYUZYHQDEO-MDZDMXLPSA-N
MW293.41 g/mol
LogP4.33
Rot. Bonds4

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

1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine (PubChem CID 134126069) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine.

Molecular Properties

Compound Name1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine
PubChem CID134126069
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine
SMILESCN1CCCC(Oc2ccc(/C=C/c3ccccc3)cc2)C1
InChIInChI=1S/C20H23NO/c1-21-15-5-8-20(16-21)22-19-13-11-18(12-14-19)10-9-17-6-3-2-4-7-17/h2-4,6-7,9-14,20H,5,8,15-16H2,1H3/b10-9+
InChIKeyGIRCRYUZYHQDEO-MDZDMXLPSA-N
XLogP4.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.33
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

ethane;1-methyl-3-phenoxypiperidine
CID 176561362
1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine
CID 134126084
tert-butyl (3R)-3-[4-[(Z)-2-phenylethenyl]phenoxy]piperidine-1-carboxylate
CID 99902919
(3S)-3-phenoxy-1-phenylpiperidine
CID 153196970
4-[4-[(E)-2-phenylethenyl]phenoxy]thiane
CID 134126076
3-methyl-3-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
CID 117470826
4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
CID 117444593
1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine
CID 117438888
1-[[4-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
CID 117408226
CID 140799111
CID 140799111
2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid
CID 117467649
1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117438916

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine?
The IUPAC name of 1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine (CID 134126069) is 1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine.
What is the SMILES notation for 1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine?
The canonical SMILES for 1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine is CN1CCCC(Oc2ccc(/C=C/c3ccccc3)cc2)C1.
What is the InChIKey of 1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine?
The InChIKey is GIRCRYUZYHQDEO-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H23NO/c1-21-15-5-8-20(16-21)22-19-13-11-18(12-14-19)10-9-17-6-3-2-4-7-17/h2-4,6-7,9-14,20H,5,8,15-16H2,1H3/b10-9+.
What are the key properties of 1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine?
1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine has a molecular weight of 293.41 g/mol, XLogP of 4.33, 4 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]piperidine is sourced from PubChem (CID 134126069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).