1-[4-(2-methylpentan-2-yl)phenyl]piperazine

C16H26N2 — CID 135207965

IUPAC1-[4-(2-methylpentan-2-yl)phenyl]piperazine
SMILESCCCC(C)(C)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C16H26N2/c1-4-9-16(2,3)14-5-7-15(8-6-14)18-12-10-17-11-13-18/h5-8,17H,4,9-13H2,1-3H3
InChIKeyPKWYWVDJBRIKBB-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.17
Rot. Bonds4

About 1-[4-(2-methylpentan-2-yl)phenyl]piperazine

1-[4-(2-methylpentan-2-yl)phenyl]piperazine (PubChem CID 135207965) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[4-(2-methylpentan-2-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(2-methylpentan-2-yl)phenyl]piperazine
PubChem CID135207965
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[4-(2-methylpentan-2-yl)phenyl]piperazine
SMILESCCCC(C)(C)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C16H26N2/c1-4-9-16(2,3)14-5-7-15(8-6-14)18-12-10-17-11-13-18/h5-8,17H,4,9-13H2,1-3H3
InChIKeyPKWYWVDJBRIKBB-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpentan-2-yl)phenyl]piperazine?
The IUPAC name of 1-[4-(2-methylpentan-2-yl)phenyl]piperazine (CID 135207965) is 1-[4-(2-methylpentan-2-yl)phenyl]piperazine.
What is the SMILES notation for 1-[4-(2-methylpentan-2-yl)phenyl]piperazine?
The canonical SMILES for 1-[4-(2-methylpentan-2-yl)phenyl]piperazine is CCCC(C)(C)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(2-methylpentan-2-yl)phenyl]piperazine?
The InChIKey is PKWYWVDJBRIKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-9-16(2,3)14-5-7-15(8-6-14)18-12-10-17-11-13-18/h5-8,17H,4,9-13H2,1-3H3.
What are the key properties of 1-[4-(2-methylpentan-2-yl)phenyl]piperazine?
1-[4-(2-methylpentan-2-yl)phenyl]piperazine has a molecular weight of 246.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpentan-2-yl)phenyl]piperazine is sourced from PubChem (CID 135207965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).