4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol

C23H31N3O2 — CID 45219982

IUPAC4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol
SMILESCCN(Cc1ccncc1)C1CCCN(C/C=C/c2ccc(O)c(OC)c2)C1
InChIInChI=1S/C23H31N3O2/c1-3-26(17-20-10-12-24-13-11-20)21-7-5-15-25(18-21)14-4-6-19-8-9-22(27)23(16-19)28-2/h4,6,8-13,16,21,27H,3,5,7,14-15,17-18H2,1-2H3/b6-4+
InChIKeyYQAYJFZBZOKRAJ-GQCTYLIASA-N
MW381.52 g/mol
LogP3.80
Rot. Bonds8

About 4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol

4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol (PubChem CID 45219982) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol
PubChem CID45219982
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol
SMILESCCN(Cc1ccncc1)C1CCCN(C/C=C/c2ccc(O)c(OC)c2)C1
InChIInChI=1S/C23H31N3O2/c1-3-26(17-20-10-12-24-13-11-20)21-7-5-15-25(18-21)14-4-6-19-8-9-22(27)23(16-19)28-2/h4,6,8-13,16,21,27H,3,5,7,14-15,17-18H2,1-2H3/b6-4+
InChIKeyYQAYJFZBZOKRAJ-GQCTYLIASA-N
XLogP3.80
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol with MolForge

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Related Compounds

1-[(3-ethoxy-4-methoxyphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 45173407
(3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 29088331
methyl 4-[[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methyl]benzoate
CID 45199818
3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
CID 45188632
(2S)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
CID 140581488
N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 45190430
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272
3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide
CID 45215887
4-[(E)-3-[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]prop-1-enyl]-2-methoxyphenol
CID 45196811
1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 75100634
1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-diethylpyrrolidin-3-amine
CID 59295543
N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide
CID 45236422

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol (CID 45219982) is 4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol is CCN(Cc1ccncc1)C1CCCN(C/C=C/c2ccc(O)c(OC)c2)C1.
What is the InChIKey of 4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol?
The InChIKey is YQAYJFZBZOKRAJ-GQCTYLIASA-N. The full InChI is InChI=1S/C23H31N3O2/c1-3-26(17-20-10-12-24-13-11-20)21-7-5-15-25(18-21)14-4-6-19-8-9-22(27)23(16-19)28-2/h4,6,8-13,16,21,27H,3,5,7,14-15,17-18H2,1-2H3/b6-4+.
What are the key properties of 4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol?
4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol has a molecular weight of 381.52 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol is sourced from PubChem (CID 45219982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).