1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine

C19H25N3 — CID 110454927

IUPAC1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine
SMILESCc1ccc(N2CCN(C(C)c3ccccn3)CC2)cc1C
InChIInChI=1S/C19H25N3/c1-15-7-8-18(14-16(15)2)22-12-10-21(11-13-22)17(3)19-6-4-5-9-20-19/h4-9,14,17H,10-13H2,1-3H3
InChIKeyGBXPBAQBPYAXAB-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.58
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine

1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine (PubChem CID 110454927) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine
PubChem CID110454927
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine
SMILESCc1ccc(N2CCN(C(C)c3ccccn3)CC2)cc1C
InChIInChI=1S/C19H25N3/c1-15-7-8-18(14-16(15)2)22-12-10-21(11-13-22)17(3)19-6-4-5-9-20-19/h4-9,14,17H,10-13H2,1-3H3
InChIKeyGBXPBAQBPYAXAB-UHFFFAOYSA-N
XLogP3.58
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452672
1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454928
5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 86793175
2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline
CID 43682397
1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452657
N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline
CID 110452660
4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine
CID 99627124
4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 146125070
1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine
CID 66202131
1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 3815580
4-[(1S)-1-pyridin-2-ylethyl]-1,4-thiazepane
CID 97100104
(3S)-1-(1-pyridin-2-ylethyl)pyrrolidin-3-ol
CID 71301760

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine (CID 110454927) is 1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine is Cc1ccc(N2CCN(C(C)c3ccccn3)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine?
The InChIKey is GBXPBAQBPYAXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-15-7-8-18(14-16(15)2)22-12-10-21(11-13-22)17(3)19-6-4-5-9-20-19/h4-9,14,17H,10-13H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine?
1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine has a molecular weight of 295.43 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine is sourced from PubChem (CID 110454927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).