1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine

C19H25N3 — CID 177267335

IUPAC1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine
SMILESCc1ccc(N2CCN(c3ccc(C(C)C)cc3)CC2)cn1
InChIInChI=1S/C19H25N3/c1-15(2)17-5-8-18(9-6-17)21-10-12-22(13-11-21)19-7-4-16(3)20-14-19/h4-9,14-15H,10-13H2,1-3H3
InChIKeyZWZSGLWXSWKQHR-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.84
Rot. Bonds3

About 1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine

1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine (PubChem CID 177267335) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine
PubChem CID177267335
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine
SMILESCc1ccc(N2CCN(c3ccc(C(C)C)cc3)CC2)cn1
InChIInChI=1S/C19H25N3/c1-15(2)17-5-8-18(9-6-17)21-10-12-22(13-11-21)19-7-4-16(3)20-14-19/h4-9,14-15H,10-13H2,1-3H3
InChIKeyZWZSGLWXSWKQHR-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
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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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine (CID 177267335) is 1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine is Cc1ccc(N2CCN(c3ccc(C(C)C)cc3)CC2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine?
The InChIKey is ZWZSGLWXSWKQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-15(2)17-5-8-18(9-6-17)21-10-12-22(13-11-21)19-7-4-16(3)20-14-19/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine?
1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine has a molecular weight of 295.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 177267335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).