2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine

C17H34N2 — CID 64940682

IUPAC2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine
SMILESCCCC1CN(CCC2CCCC(C)C2)C(C)CN1
InChIInChI=1S/C17H34N2/c1-4-6-17-13-19(15(3)12-18-17)10-9-16-8-5-7-14(2)11-16/h14-18H,4-13H2,1-3H3
InChIKeyWOFSSKJZRZSFHN-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds5

About 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine

2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine (PubChem CID 64940682) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine.

Molecular Properties

Compound Name2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine
PubChem CID64940682
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine
SMILESCCCC1CN(CCC2CCCC(C)C2)C(C)CN1
InChIInChI=1S/C17H34N2/c1-4-6-17-13-19(15(3)12-18-17)10-9-16-8-5-7-14(2)11-16/h14-18H,4-13H2,1-3H3
InChIKeyWOFSSKJZRZSFHN-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
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-(3-methylcyclohexyl)ethyl]-5-propylpiperazine?
The IUPAC name of 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine (CID 64940682) is 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine.
What is the SMILES notation for 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine?
The canonical SMILES for 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine is CCCC1CN(CCC2CCCC(C)C2)C(C)CN1.
What is the InChIKey of 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine?
The InChIKey is WOFSSKJZRZSFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-6-17-13-19(15(3)12-18-17)10-9-16-8-5-7-14(2)11-16/h14-18H,4-13H2,1-3H3.
What are the key properties of 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine?
2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine is sourced from PubChem (CID 64940682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).