1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine

C17H22N4O — CID 122158640

IUPAC1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine
SMILESCOc1ccnc(N2CCN(CCc3ccncc3)CC2)c1
InChIInChI=1S/C17H22N4O/c1-22-16-4-8-19-17(14-16)21-12-10-20(11-13-21)9-5-15-2-6-18-7-3-15/h2-4,6-8,14H,5,9-13H2,1H3
InChIKeyWMSVKOIHEWNJAG-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.85
Rot. Bonds5

About 1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine

1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine (PubChem CID 122158640) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine
PubChem CID122158640
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine
SMILESCOc1ccnc(N2CCN(CCc3ccncc3)CC2)c1
InChIInChI=1S/C17H22N4O/c1-22-16-4-8-19-17(14-16)21-12-10-20(11-13-21)9-5-15-2-6-18-7-3-15/h2-4,6-8,14H,5,9-13H2,1H3
InChIKeyWMSVKOIHEWNJAG-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine
CID 136529893
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641
[4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol
CID 110008942
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
CID 155800426
1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
CID 21120027
2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 119877691
4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019557
3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]aniline
CID 60892068
2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 171335725
4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine
CID 124591492
4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine
CID 141236544
1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(3-methoxyphenyl)piperazine;hydrochloride
CID 118720226

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine?
The IUPAC name of 1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine (CID 122158640) is 1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine.
What is the SMILES notation for 1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine?
The canonical SMILES for 1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine is COc1ccnc(N2CCN(CCc3ccncc3)CC2)c1.
What is the InChIKey of 1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine?
The InChIKey is WMSVKOIHEWNJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-22-16-4-8-19-17(14-16)21-12-10-20(11-13-21)9-5-15-2-6-18-7-3-15/h2-4,6-8,14H,5,9-13H2,1H3.
What are the key properties of 1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine?
1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine has a molecular weight of 298.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine is sourced from PubChem (CID 122158640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).