4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine

C17H33N3O — CID 58786730

IUPAC4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine
SMILESC1CCC(CC(CN2CCOCC2)N2CCNCC2)CC1
InChIInChI=1S/C17H33N3O/c1-2-4-16(5-3-1)14-17(20-8-6-18-7-9-20)15-19-10-12-21-13-11-19/h16-18H,1-15H2
InChIKeySPAFROSMGVVNJV-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.56
Rot. Bonds5

About 4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine

4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine (PubChem CID 58786730) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine.

Molecular Properties

Compound Name4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine
PubChem CID58786730
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine
SMILESC1CCC(CC(CN2CCOCC2)N2CCNCC2)CC1
InChIInChI=1S/C17H33N3O/c1-2-4-16(5-3-1)14-17(20-8-6-18-7-9-20)15-19-10-12-21-13-11-19/h16-18H,1-15H2
InChIKeySPAFROSMGVVNJV-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine?
The IUPAC name of 4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine (CID 58786730) is 4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine.
What is the SMILES notation for 4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine?
The canonical SMILES for 4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine is C1CCC(CC(CN2CCOCC2)N2CCNCC2)CC1.
What is the InChIKey of 4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine?
The InChIKey is SPAFROSMGVVNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-2-4-16(5-3-1)14-17(20-8-6-18-7-9-20)15-19-10-12-21-13-11-19/h16-18H,1-15H2.
What are the key properties of 4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine?
4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine has a molecular weight of 295.47 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexyl-2-piperazin-1-ylpropyl)morpholine is sourced from PubChem (CID 58786730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).