2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine

C16H26N2 — CID 64833712

IUPAC2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CCc2ccccc2)C(C)CN1
InChIInChI=1S/C16H26N2/c1-13(2)16-12-18(14(3)11-17-16)10-9-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3
InChIKeyYNYXHILQWJHTRF-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.55
Rot. Bonds4

About 2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine

2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine (PubChem CID 64833712) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
PubChem CID64833712
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CCc2ccccc2)C(C)CN1
InChIInChI=1S/C16H26N2/c1-13(2)16-12-18(14(3)11-17-16)10-9-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3
InChIKeyYNYXHILQWJHTRF-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine?
The IUPAC name of 2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine (CID 64833712) is 2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine is CC(C)C1CN(CCc2ccccc2)C(C)CN1.
What is the InChIKey of 2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine?
The InChIKey is YNYXHILQWJHTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)16-12-18(14(3)11-17-16)10-9-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3.
What are the key properties of 2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine?
2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 64833712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).