cyclohexyl(piperazin-1-yl)methanamine

C11H23N3 — CID 116939842

IUPACcyclohexyl(piperazin-1-yl)methanamine
SMILESNC(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C11H23N3/c12-11(10-4-2-1-3-5-10)14-8-6-13-7-9-14/h10-11,13H,1-9,12H2
InChIKeyXKTIXIUQAGSUCF-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.76
Rot. Bonds2

About cyclohexyl(piperazin-1-yl)methanamine

cyclohexyl(piperazin-1-yl)methanamine (PubChem CID 116939842) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is cyclohexyl(piperazin-1-yl)methanamine.

Molecular Properties

Compound Namecyclohexyl(piperazin-1-yl)methanamine
PubChem CID116939842
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Namecyclohexyl(piperazin-1-yl)methanamine
SMILESNC(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C11H23N3/c12-11(10-4-2-1-3-5-10)14-8-6-13-7-9-14/h10-11,13H,1-9,12H2
InChIKeyXKTIXIUQAGSUCF-UHFFFAOYSA-N
XLogP0.76
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-yl(piperazin-1-yl)methanamine
CID 116939843
1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine
CID 58786685
1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride
CID 69431994
propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
CID 167698824
1-(2-cycloheptylpropyl)piperazine
CID 82509737
1-[(R)-cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methyl]piperazine
CID 171172190
4-(1-piperazin-1-ylethyl)azepane
CID 82394500
1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine
CID 171277119
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574
1-[(R)-cyclohexyl(furan-2-yl)methyl]piperazine
CID 171294117
1-(1-cyclohexylsulfanylethyl)piperazine
CID 117035774
1-[(R)-cyclohexyl(furan-2-yl)methyl]piperazine;dihydrochloride
CID 171294118

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(piperazin-1-yl)methanamine?
The IUPAC name of cyclohexyl(piperazin-1-yl)methanamine (CID 116939842) is cyclohexyl(piperazin-1-yl)methanamine.
What is the SMILES notation for cyclohexyl(piperazin-1-yl)methanamine?
The canonical SMILES for cyclohexyl(piperazin-1-yl)methanamine is NC(C1CCCCC1)N1CCNCC1.
What is the InChIKey of cyclohexyl(piperazin-1-yl)methanamine?
The InChIKey is XKTIXIUQAGSUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c12-11(10-4-2-1-3-5-10)14-8-6-13-7-9-14/h10-11,13H,1-9,12H2.
What are the key properties of cyclohexyl(piperazin-1-yl)methanamine?
cyclohexyl(piperazin-1-yl)methanamine has a molecular weight of 197.33 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(piperazin-1-yl)methanamine is sourced from PubChem (CID 116939842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).