2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine

C17H28N2 — CID 64831533

IUPAC2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1Cc1ccccc1C
InChIInChI=1S/C17H28N2/c1-5-16-10-18-17(13(2)3)12-19(16)11-15-9-7-6-8-14(15)4/h6-9,13,16-18H,5,10-12H2,1-4H3
InChIKeyNRWFCPPWFOVQPV-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.20
Rot. Bonds4

About 2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine

2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine (PubChem CID 64831533) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine
PubChem CID64831533
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1Cc1ccccc1C
InChIInChI=1S/C17H28N2/c1-5-16-10-18-17(13(2)3)12-19(16)11-15-9-7-6-8-14(15)4/h6-9,13,16-18H,5,10-12H2,1-4H3
InChIKeyNRWFCPPWFOVQPV-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine?
The IUPAC name of 2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine (CID 64831533) is 2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine?
The canonical SMILES for 2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine is CCC1CNC(C(C)C)CN1Cc1ccccc1C.
What is the InChIKey of 2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine?
The InChIKey is NRWFCPPWFOVQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-16-10-18-17(13(2)3)12-19(16)11-15-9-7-6-8-14(15)4/h6-9,13,16-18H,5,10-12H2,1-4H3.
What are the key properties of 2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine?
2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine is sourced from PubChem (CID 64831533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).