1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine

C15H24N2 — CID 1148324

IUPAC1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine
SMILESCc1cccc(CN2CCN(C(C)C)CC2)c1
InChIInChI=1S/C15H24N2/c1-13(2)17-9-7-16(8-10-17)12-15-6-4-5-14(3)11-15/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyUPEAPEJOEZUGLG-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.52
Rot. Bonds3

About 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine

1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine (PubChem CID 1148324) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine
PubChem CID1148324
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine
SMILESCc1cccc(CN2CCN(C(C)C)CC2)c1
InChIInChI=1S/C15H24N2/c1-13(2)17-9-7-16(8-10-17)12-15-6-4-5-14(3)11-15/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyUPEAPEJOEZUGLG-UHFFFAOYSA-N
XLogP2.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine (CID 1148324) is 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine is Cc1cccc(CN2CCN(C(C)C)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is UPEAPEJOEZUGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(2)17-9-7-16(8-10-17)12-15-6-4-5-14(3)11-15/h4-6,11,13H,7-10,12H2,1-3H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine?
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 232.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 1148324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).