3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine

C15H28N2O — CID 82737480

IUPAC3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine
SMILESCC1OCCC1N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C15H28N2O/c1-12-15(7-10-18-12)17-9-8-16-14(11-17)13-5-3-2-4-6-13/h12-16H,2-11H2,1H3
InChIKeyOPSPDOQNGPKVIG-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds2

About 3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine

3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine (PubChem CID 82737480) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine
PubChem CID82737480
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine
SMILESCC1OCCC1N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C15H28N2O/c1-12-15(7-10-18-12)17-9-8-16-14(11-17)13-5-3-2-4-6-13/h12-16H,2-11H2,1H3
InChIKeyOPSPDOQNGPKVIG-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine?
The IUPAC name of 3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine (CID 82737480) is 3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine.
What is the SMILES notation for 3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine?
The canonical SMILES for 3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine is CC1OCCC1N1CCNC(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine?
The InChIKey is OPSPDOQNGPKVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12-15(7-10-18-12)17-9-8-16-14(11-17)13-5-3-2-4-6-13/h12-16H,2-11H2,1H3.
What are the key properties of 3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine?
3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine has a molecular weight of 252.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine is sourced from PubChem (CID 82737480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).