4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine

C16H33N3O — CID 134214478

IUPAC4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine
SMILESCC(C)(CCC(C)(C)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C16H33N3O/c1-15(2,18-9-7-17-8-10-18)5-6-16(3,4)19-11-13-20-14-12-19/h17H,5-14H2,1-4H3
InChIKeyCOMDNJGRLJOWDD-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.56
Rot. Bonds5

About 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine

4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine (PubChem CID 134214478) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine.

Molecular Properties

Compound Name4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine
PubChem CID134214478
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine
SMILESCC(C)(CCC(C)(C)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C16H33N3O/c1-15(2,18-9-7-17-8-10-18)5-6-16(3,4)19-11-13-20-14-12-19/h17H,5-14H2,1-4H3
InChIKeyCOMDNJGRLJOWDD-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
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-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine?
The IUPAC name of 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine (CID 134214478) is 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine.
What is the SMILES notation for 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine?
The canonical SMILES for 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine is CC(C)(CCC(C)(C)N1CCOCC1)N1CCNCC1.
What is the InChIKey of 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine?
The InChIKey is COMDNJGRLJOWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-15(2,18-9-7-17-8-10-18)5-6-16(3,4)19-11-13-20-14-12-19/h17H,5-14H2,1-4H3.
What are the key properties of 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine?
4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine has a molecular weight of 283.46 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-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine is sourced from PubChem (CID 134214478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).