1-[(4-propan-2-ylphenyl)methyl]piperazine

C14H22N2 — CID 2574844

IUPAC1-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C14H22N2/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16/h3-6,12,15H,7-11H2,1-2H3
InChIKeyHOBCRUDGINOFNV-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.22
Rot. Bonds3

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

1-[(4-propan-2-ylphenyl)methyl]piperazine (PubChem CID 2574844) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[(4-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-propan-2-ylphenyl)methyl]piperazine
PubChem CID2574844
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C14H22N2/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16/h3-6,12,15H,7-11H2,1-2H3
InChIKeyHOBCRUDGINOFNV-UHFFFAOYSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-propan-2-ylphenyl)methyl]piperazine (CID 2574844) is 1-[(4-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-propan-2-ylphenyl)methyl]piperazine is CC(C)c1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 1-[(4-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is HOBCRUDGINOFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 1-[(4-propan-2-ylphenyl)methyl]piperazine?
1-[(4-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 218.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 2574844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).