1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine

C19H25N3O — CID 174680413

IUPAC1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine
SMILESCOc1ccc(-c2ccc(C(C)(C)N3CCNCC3)nc2)cc1
InChIInChI=1S/C19H25N3O/c1-19(2,22-12-10-20-11-13-22)18-9-6-16(14-21-18)15-4-7-17(23-3)8-5-15/h4-9,14,20H,10-13H2,1-3H3
InChIKeyFCISBQFCDGFDQT-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.90
Rot. Bonds4

About 1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine

1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine (PubChem CID 174680413) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine
PubChem CID174680413
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine
SMILESCOc1ccc(-c2ccc(C(C)(C)N3CCNCC3)nc2)cc1
InChIInChI=1S/C19H25N3O/c1-19(2,22-12-10-20-11-13-22)18-9-6-16(14-21-18)15-4-7-17(23-3)8-5-15/h4-9,14,20H,10-13H2,1-3H3
InChIKeyFCISBQFCDGFDQT-UHFFFAOYSA-N
XLogP2.90
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine?
The IUPAC name of 1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine (CID 174680413) is 1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine.
What is the SMILES notation for 1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine?
The canonical SMILES for 1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine is COc1ccc(-c2ccc(C(C)(C)N3CCNCC3)nc2)cc1.
What is the InChIKey of 1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine?
The InChIKey is FCISBQFCDGFDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-19(2,22-12-10-20-11-13-22)18-9-6-16(14-21-18)15-4-7-17(23-3)8-5-15/h4-9,14,20H,10-13H2,1-3H3.
What are the key properties of 1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine?
1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine has a molecular weight of 311.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine is sourced from PubChem (CID 174680413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).