1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine

C25H69N3 — CID 161204219

IUPAC1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
SMILESC.C.C.CC.CC.CC.CC.CC.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C6H13N.5C2H6.3CH4/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;5*1-2;;;/h3-6H2,1-2H3;2-6H2,1H3;5*1-2H3;3*1H4
InChIKeyUVJQMDORPVTRLA-UHFFFAOYSA-N
MW411.85 g/mol
LogP8.01
Rot. Bonds

About 1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine

1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine (PubChem CID 161204219) has the molecular formula C25H69N3 and a molecular weight of 411.85 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
PubChem CID161204219
Molecular FormulaC25H69N3
Molecular Weight411.85 g/mol
Exact Mass411.55
IUPAC Name1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
SMILESC.C.C.CC.CC.CC.CC.CC.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C6H13N.5C2H6.3CH4/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;5*1-2;;;/h3-6H2,1-2H3;2-6H2,1H3;5*1-2H3;3*1H4
InChIKeyUVJQMDORPVTRLA-UHFFFAOYSA-N
XLogP8.01
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.85
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
azane;ethane;methane;1-methylpiperidine
CID 159571038
methane;tris(1-methylpiperidine)
CID 162076357
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
ethane;bis(1-methylpyrrolidine)
CID 153385238
1,3,6-trimethyl-1,3,6-triazecane
CID 154027654

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine?
The IUPAC name of 1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine (CID 161204219) is 1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine.
What is the SMILES notation for 1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine?
The canonical SMILES for 1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine is C.C.C.CC.CC.CC.CC.CC.CN1CCCCC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine?
The InChIKey is UVJQMDORPVTRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H13N.5C2H6.3CH4/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;5*1-2;;;/h3-6H2,1-2H3;2-6H2,1H3;5*1-2H3;3*1H4.
What are the key properties of 1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine?
1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine has a molecular weight of 411.85 g/mol, XLogP of 8.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine is sourced from PubChem (CID 161204219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).