3-methyl-1-(3-propan-2-ylphenyl)piperazine

C14H22N2 — CID 20814161

IUPAC3-methyl-1-(3-propan-2-ylphenyl)piperazine
SMILESCC1CN(c2cccc(C(C)C)c2)CCN1
InChIInChI=1S/C14H22N2/c1-11(2)13-5-4-6-14(9-13)16-8-7-15-12(3)10-16/h4-6,9,11-12,15H,7-8,10H2,1-3H3
InChIKeyMTXBSRUXAPLZFJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.61
Rot. Bonds2

About 3-methyl-1-(3-propan-2-ylphenyl)piperazine

3-methyl-1-(3-propan-2-ylphenyl)piperazine (PubChem CID 20814161) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-methyl-1-(3-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(3-propan-2-ylphenyl)piperazine
PubChem CID20814161
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-methyl-1-(3-propan-2-ylphenyl)piperazine
SMILESCC1CN(c2cccc(C(C)C)c2)CCN1
InChIInChI=1S/C14H22N2/c1-11(2)13-5-4-6-14(9-13)16-8-7-15-12(3)10-16/h4-6,9,11-12,15H,7-8,10H2,1-3H3
InChIKeyMTXBSRUXAPLZFJ-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propan-2-ylphenyl)piperazine?
The IUPAC name of 3-methyl-1-(3-propan-2-ylphenyl)piperazine (CID 20814161) is 3-methyl-1-(3-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 3-methyl-1-(3-propan-2-ylphenyl)piperazine?
The canonical SMILES for 3-methyl-1-(3-propan-2-ylphenyl)piperazine is CC1CN(c2cccc(C(C)C)c2)CCN1.
What is the InChIKey of 3-methyl-1-(3-propan-2-ylphenyl)piperazine?
The InChIKey is MTXBSRUXAPLZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)13-5-4-6-14(9-13)16-8-7-15-12(3)10-16/h4-6,9,11-12,15H,7-8,10H2,1-3H3.
What are the key properties of 3-methyl-1-(3-propan-2-ylphenyl)piperazine?
3-methyl-1-(3-propan-2-ylphenyl)piperazine has a molecular weight of 218.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 20814161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).