1-cycloheptylpiperazine;methane

C12H26N2 — CID 143122535

IUPAC1-cycloheptylpiperazine;methane
SMILESC.C1CCCC(N2CCNCC2)CC1
InChIInChI=1S/C11H22N2.CH4/c1-2-4-6-11(5-3-1)13-9-7-12-8-10-13;/h11-12H,1-10H2;1H4
InChIKeyAXRJMGWOFPJMJQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds1

About 1-cycloheptylpiperazine;methane

1-cycloheptylpiperazine;methane (PubChem CID 143122535) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-cycloheptylpiperazine;methane.

Molecular Properties

Compound Name1-cycloheptylpiperazine;methane
PubChem CID143122535
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-cycloheptylpiperazine;methane
SMILESC.C1CCCC(N2CCNCC2)CC1
InChIInChI=1S/C11H22N2.CH4/c1-2-4-6-11(5-3-1)13-9-7-12-8-10-13;/h11-12H,1-10H2;1H4
InChIKeyAXRJMGWOFPJMJQ-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-piperidin-4-yl-1,4-diazepane
CID 53414008
1-azabicyclo[3.2.0]heptane;azepane
CID 57473310
1,2,3,4,5,6,7,9,10,11,12,12a-dodecahydropyrido[1,2-a][1,4,7]triazonine;trihydrobromide
CID 22495462
1-cyclohexylpiperazine;3-oxobutanoic acid
CID 70416246
1-cyclohexylazocane
CID 23151203
1-cyclooctylpiperidine
CID 89210756
1-cyclooctylpyrrolidine
CID 23277874
1-piperidin-4-ylpiperidine chloride
CID 3083875
1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine
CID 117018992

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptylpiperazine;methane?
The IUPAC name of 1-cycloheptylpiperazine;methane (CID 143122535) is 1-cycloheptylpiperazine;methane.
What is the SMILES notation for 1-cycloheptylpiperazine;methane?
The canonical SMILES for 1-cycloheptylpiperazine;methane is C.C1CCCC(N2CCNCC2)CC1.
What is the InChIKey of 1-cycloheptylpiperazine;methane?
The InChIKey is AXRJMGWOFPJMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.CH4/c1-2-4-6-11(5-3-1)13-9-7-12-8-10-13;/h11-12H,1-10H2;1H4.
What are the key properties of 1-cycloheptylpiperazine;methane?
1-cycloheptylpiperazine;methane has a molecular weight of 198.35 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylpiperazine;methane is sourced from PubChem (CID 143122535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).