1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine

C18H23N3O — CID 110454928

IUPAC1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
SMILESCOc1ccc(N2CCN(C(C)c3ccccn3)CC2)cc1
InChIInChI=1S/C18H23N3O/c1-15(18-5-3-4-10-19-18)20-11-13-21(14-12-20)16-6-8-17(22-2)9-7-16/h3-10,15H,11-14H2,1-2H3
InChIKeyZBUBBKYIPJHYFH-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.97
Rot. Bonds4

About 1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine

1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine (PubChem CID 110454928) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
PubChem CID110454928
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
SMILESCOc1ccc(N2CCN(C(C)c3ccccn3)CC2)cc1
InChIInChI=1S/C18H23N3O/c1-15(18-5-3-4-10-19-18)20-11-13-21(14-12-20)16-6-8-17(22-2)9-7-16/h3-10,15H,11-14H2,1-2H3
InChIKeyZBUBBKYIPJHYFH-UHFFFAOYSA-N
XLogP2.97
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452672
1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454927
4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 146125070
5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 86793175
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
5-[(1S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94797739
4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine
CID 99627124
1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 20519338
N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline
CID 110452660
1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452657
N,4-dimethyl-1-(1-pyridin-2-ylethyl)piperidin-4-amine
CID 115304187
4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole
CID 100683576

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine (CID 110454928) is 1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine is COc1ccc(N2CCN(C(C)c3ccccn3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine?
The InChIKey is ZBUBBKYIPJHYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-15(18-5-3-4-10-19-18)20-11-13-21(14-12-20)16-6-8-17(22-2)9-7-16/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine?
1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine has a molecular weight of 297.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine is sourced from PubChem (CID 110454928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).