[2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone

C13H25N3O — CID 106826007

IUPAC[2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)N2CCNCC2CN)CCCCC1
InChIInChI=1S/C13H25N3O/c1-13(5-3-2-4-6-13)12(17)16-8-7-15-10-11(16)9-14/h11,15H,2-10,14H2,1H3
InChIKeyUKIHOZODEMOCOP-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.72
Rot. Bonds2

About [2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone

[2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone (PubChem CID 106826007) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is [2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone
PubChem CID106826007
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name[2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)N2CCNCC2CN)CCCCC1
InChIInChI=1S/C13H25N3O/c1-13(5-3-2-4-6-13)12(17)16-8-7-15-10-11(16)9-14/h11,15H,2-10,14H2,1H3
InChIKeyUKIHOZODEMOCOP-UHFFFAOYSA-N
XLogP0.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828078
[2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828939
[2-(aminomethyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 113415445
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828022
[2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
CID 114824171
1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone
CID 113415473
[2-(2-hydroxyethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 112748638
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828027
methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate
CID 106828161
(2-methyloxolan-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82756349
[2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone
CID 116639879
2-[4-(1-methylcyclopentanecarbonyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80518635

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone?
The IUPAC name of [2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone (CID 106826007) is [2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone?
The canonical SMILES for [2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone is CC1(C(=O)N2CCNCC2CN)CCCCC1.
What is the InChIKey of [2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone?
The InChIKey is UKIHOZODEMOCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(5-3-2-4-6-13)12(17)16-8-7-15-10-11(16)9-14/h11,15H,2-10,14H2,1H3.
What are the key properties of [2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone?
[2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone has a molecular weight of 239.36 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106826007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).