4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)-3-methylmorpholine

C17H35N3O — CID 134580085

IUPAC4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)-3-methylmorpholine
SMILESCC1COCCN1C(C)(C)CCC(C)(C)N1CCNCC1
InChIInChI=1S/C17H35N3O/c1-15-14-21-13-12-20(15)17(4,5)7-6-16(2,3)19-10-8-18-9-11-19/h15,18H,6-14H2,1-5H3
InChIKeyVXFGSNFZDNCZIR-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.95
Rot. Bonds5

About 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)-3-methylmorpholine

4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)-3-methylmorpholine (PubChem CID 134580085) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)-3-methylmorpholine
PubChem CID134580085
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)-3-methylmorpholine
SMILESCC1COCCN1C(C)(C)CCC(C)(C)N1CCNCC1
InChIInChI=1S/C17H35N3O/c1-15-14-21-13-12-20(15)17(4,5)7-6-16(2,3)19-10-8-18-9-11-19/h15,18H,6-14H2,1-5H3
InChIKeyVXFGSNFZDNCZIR-UHFFFAOYSA-N
XLogP1.95
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.95
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)-3-methylmorpholine?
The IUPAC name of 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)-3-methylmorpholine (CID 134580085) is 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)-3-methylmorpholine.
What is the SMILES notation for 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)-3-methylmorpholine?
The canonical SMILES for 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)-3-methylmorpholine is CC1COCCN1C(C)(C)CCC(C)(C)N1CCNCC1.
What is the InChIKey of 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)-3-methylmorpholine?
The InChIKey is VXFGSNFZDNCZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-15-14-21-13-12-20(15)17(4,5)7-6-16(2,3)19-10-8-18-9-11-19/h15,18H,6-14H2,1-5H3.
What are the key properties of 4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)-3-methylmorpholine?
4-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)-3-methylmorpholine has a molecular weight of 297.49 g/mol, XLogP of 1.95, 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)-3-methylmorpholine is sourced from PubChem (CID 134580085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).