2-methyl-1-(4-piperidin-1-ylphenyl)piperazine

C16H25N3 — CID 64931724

IUPAC2-methyl-1-(4-piperidin-1-ylphenyl)piperazine
SMILESCC1CNCCN1c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H25N3/c1-14-13-17-9-12-19(14)16-7-5-15(6-8-16)18-10-3-2-4-11-18/h5-8,14,17H,2-4,9-13H2,1H3
InChIKeyKQTSWCOAPULDFE-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.47
Rot. Bonds2

About 2-methyl-1-(4-piperidin-1-ylphenyl)piperazine

2-methyl-1-(4-piperidin-1-ylphenyl)piperazine (PubChem CID 64931724) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-methyl-1-(4-piperidin-1-ylphenyl)piperazine.

Molecular Properties

Compound Name2-methyl-1-(4-piperidin-1-ylphenyl)piperazine
PubChem CID64931724
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-methyl-1-(4-piperidin-1-ylphenyl)piperazine
SMILESCC1CNCCN1c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H25N3/c1-14-13-17-9-12-19(14)16-7-5-15(6-8-16)18-10-3-2-4-11-18/h5-8,14,17H,2-4,9-13H2,1H3
InChIKeyKQTSWCOAPULDFE-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-piperidin-1-ylphenyl)piperazine?
The IUPAC name of 2-methyl-1-(4-piperidin-1-ylphenyl)piperazine (CID 64931724) is 2-methyl-1-(4-piperidin-1-ylphenyl)piperazine.
What is the SMILES notation for 2-methyl-1-(4-piperidin-1-ylphenyl)piperazine?
The canonical SMILES for 2-methyl-1-(4-piperidin-1-ylphenyl)piperazine is CC1CNCCN1c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-methyl-1-(4-piperidin-1-ylphenyl)piperazine?
The InChIKey is KQTSWCOAPULDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-14-13-17-9-12-19(14)16-7-5-15(6-8-16)18-10-3-2-4-11-18/h5-8,14,17H,2-4,9-13H2,1H3.
What are the key properties of 2-methyl-1-(4-piperidin-1-ylphenyl)piperazine?
2-methyl-1-(4-piperidin-1-ylphenyl)piperazine has a molecular weight of 259.40 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-piperidin-1-ylphenyl)piperazine is sourced from PubChem (CID 64931724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).