1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine

C19H23N3O — CID 70758434

IUPAC1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine
SMILESCOc1ccc(/C=C/CN2CCN(c3cccnc3)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-23-19-8-6-17(7-9-19)4-3-11-21-12-14-22(15-13-21)18-5-2-10-20-16-18/h2-10,16H,11-15H2,1H3/b4-3+
InChIKeyLVFRTEGPIWHUQA-ONEGZZNKSA-N
MW309.41 g/mol
LogP2.93
Rot. Bonds5

About 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine

1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine (PubChem CID 70758434) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine
PubChem CID70758434
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine
SMILESCOc1ccc(/C=C/CN2CCN(c3cccnc3)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-23-19-8-6-17(7-9-19)4-3-11-21-12-14-22(15-13-21)18-5-2-10-20-16-18/h2-10,16H,11-15H2,1H3/b4-3+
InChIKeyLVFRTEGPIWHUQA-ONEGZZNKSA-N
XLogP2.93
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 50964782
4-N,4-N-dimethyl-6-[5-methyl-4-[3-(4-pyridin-3-ylpiperazin-1-yl)prop-1-enyl]pyrazol-1-yl]pyrimidine-2,4-diamine
CID 70030458
1-ethyl-4-pyridin-3-yl-1,4-diazepane
CID 22478498
1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136878
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 10293563
ethane;1-methyl-4-pyridin-3-ylpiperazine
CID 144911309
5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 142608158
1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 12634871
(E)-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-en-1-one
CID 55917404
1-[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 29253860
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 46162299

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine (CID 70758434) is 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine is COc1ccc(/C=C/CN2CCN(c3cccnc3)CC2)cc1.
What is the InChIKey of 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine?
The InChIKey is LVFRTEGPIWHUQA-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H23N3O/c1-23-19-8-6-17(7-9-19)4-3-11-21-12-14-22(15-13-21)18-5-2-10-20-16-18/h2-10,16H,11-15H2,1H3/b4-3+.
What are the key properties of 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine?
1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine has a molecular weight of 309.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine is sourced from PubChem (CID 70758434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).