1-(4-methylpentan-2-yl)-3-phenylpiperazine

C16H26N2 — CID 64924253

IUPAC1-(4-methylpentan-2-yl)-3-phenylpiperazine
SMILESCC(C)CC(C)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-13(2)11-14(3)18-10-9-17-16(12-18)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3
InChIKeyVILXQORNYNGNFB-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.07
Rot. Bonds4

About 1-(4-methylpentan-2-yl)-3-phenylpiperazine

1-(4-methylpentan-2-yl)-3-phenylpiperazine (PubChem CID 64924253) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(4-methylpentan-2-yl)-3-phenylpiperazine.

Molecular Properties

Compound Name1-(4-methylpentan-2-yl)-3-phenylpiperazine
PubChem CID64924253
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(4-methylpentan-2-yl)-3-phenylpiperazine
SMILESCC(C)CC(C)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-13(2)11-14(3)18-10-9-17-16(12-18)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3
InChIKeyVILXQORNYNGNFB-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-yl)-3-phenylpiperazine?
The IUPAC name of 1-(4-methylpentan-2-yl)-3-phenylpiperazine (CID 64924253) is 1-(4-methylpentan-2-yl)-3-phenylpiperazine.
What is the SMILES notation for 1-(4-methylpentan-2-yl)-3-phenylpiperazine?
The canonical SMILES for 1-(4-methylpentan-2-yl)-3-phenylpiperazine is CC(C)CC(C)N1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-(4-methylpentan-2-yl)-3-phenylpiperazine?
The InChIKey is VILXQORNYNGNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)11-14(3)18-10-9-17-16(12-18)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3.
What are the key properties of 1-(4-methylpentan-2-yl)-3-phenylpiperazine?
1-(4-methylpentan-2-yl)-3-phenylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-yl)-3-phenylpiperazine is sourced from PubChem (CID 64924253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).