(3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine

C18H27NO2 — CID 27243155

IUPAC(3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine
SMILESCCOc1ccccc1OC/C=C/CN1CCC[C@@H](C)C1
InChIInChI=1S/C18H27NO2/c1-3-20-17-10-4-5-11-18(17)21-14-7-6-12-19-13-8-9-16(2)15-19/h4-7,10-11,16H,3,8-9,12-15H2,1-2H3/b7-6+/t16-/m1/s1
InChIKeyONOGONBMDGSOEO-FYCOFBDGSA-N
MW289.42 g/mol
LogP3.75
Rot. Bonds7

About (3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine

(3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine (PubChem CID 27243155) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine
PubChem CID27243155
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine
SMILESCCOc1ccccc1OC/C=C/CN1CCC[C@@H](C)C1
InChIInChI=1S/C18H27NO2/c1-3-20-17-10-4-5-11-18(17)21-14-7-6-12-19-13-8-9-16(2)15-19/h4-7,10-11,16H,3,8-9,12-15H2,1-2H3/b7-6+/t16-/m1/s1
InChIKeyONOGONBMDGSOEO-FYCOFBDGSA-N
XLogP3.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine
CID 6544925
N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111044308
3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 102603213
1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine
CID 177027739
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzaldehyde
CID 7379356
1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2934115
3-ethoxy-4-[4-[(3R)-3-methylpiperidin-1-yl]butoxy]benzaldehyde
CID 7379385
N-[(2-ethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143731
(3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine
CID 130637645
1-benzyl-3-methylpiperidine
CID 2794856
(2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275560

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine?
The IUPAC name of (3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine (CID 27243155) is (3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine.
What is the SMILES notation for (3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine?
The canonical SMILES for (3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine is CCOc1ccccc1OC/C=C/CN1CCC[C@@H](C)C1.
What is the InChIKey of (3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine?
The InChIKey is ONOGONBMDGSOEO-FYCOFBDGSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-20-17-10-4-5-11-18(17)21-14-7-6-12-19-13-8-9-16(2)15-19/h4-7,10-11,16H,3,8-9,12-15H2,1-2H3/b7-6+/t16-/m1/s1.
What are the key properties of (3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine?
(3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine has a molecular weight of 289.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine is sourced from PubChem (CID 27243155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).