5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine

C17H32N2O — CID 64933476

IUPAC5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine
SMILESCC1CNC(C2CCCCC2)CN1C(C)C1CCCO1
InChIInChI=1S/C17H32N2O/c1-13-11-18-16(15-7-4-3-5-8-15)12-19(13)14(2)17-9-6-10-20-17/h13-18H,3-12H2,1-2H3
InChIKeyNDFKLGWNNNYZAX-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds3

About 5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine

5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine (PubChem CID 64933476) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine
PubChem CID64933476
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine
SMILESCC1CNC(C2CCCCC2)CN1C(C)C1CCCO1
InChIInChI=1S/C17H32N2O/c1-13-11-18-16(15-7-4-3-5-8-15)12-19(13)14(2)17-9-6-10-20-17/h13-18H,3-12H2,1-2H3
InChIKeyNDFKLGWNNNYZAX-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine?
The IUPAC name of 5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine (CID 64933476) is 5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine.
What is the SMILES notation for 5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine?
The canonical SMILES for 5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine is CC1CNC(C2CCCCC2)CN1C(C)C1CCCO1.
What is the InChIKey of 5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine?
The InChIKey is NDFKLGWNNNYZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13-11-18-16(15-7-4-3-5-8-15)12-19(13)14(2)17-9-6-10-20-17/h13-18H,3-12H2,1-2H3.
What are the key properties of 5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine?
5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine has a molecular weight of 280.46 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine is sourced from PubChem (CID 64933476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).