1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine

C20H27N3O — CID 177267322

IUPAC1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine
SMILESCOCc1cc(N2CCN(c3ccc(C(C)C)cc3)CC2)ccn1
InChIInChI=1S/C20H27N3O/c1-16(2)17-4-6-19(7-5-17)22-10-12-23(13-11-22)20-8-9-21-18(14-20)15-24-3/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyOFHWEHSVVVXKKJ-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.68
Rot. Bonds5

About 1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine

1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine (PubChem CID 177267322) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine
PubChem CID177267322
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine
SMILESCOCc1cc(N2CCN(c3ccc(C(C)C)cc3)CC2)ccn1
InChIInChI=1S/C20H27N3O/c1-16(2)17-4-6-19(7-5-17)22-10-12-23(13-11-22)20-8-9-21-18(14-20)15-24-3/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyOFHWEHSVVVXKKJ-UHFFFAOYSA-N
XLogP3.68
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine?
The IUPAC name of 1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine (CID 177267322) is 1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine?
The canonical SMILES for 1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine is COCc1cc(N2CCN(c3ccc(C(C)C)cc3)CC2)ccn1.
What is the InChIKey of 1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine?
The InChIKey is OFHWEHSVVVXKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-16(2)17-4-6-19(7-5-17)22-10-12-23(13-11-22)20-8-9-21-18(14-20)15-24-3/h4-9,14,16H,10-13,15H2,1-3H3.
What are the key properties of 1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine?
1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine has a molecular weight of 325.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 177267322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).