2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone

C15H29N3O2 — CID 103966507

IUPAC2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNCC2(CO)CCCCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-17-7-9-18(10-8-17)14(20)11-16-12-15(13-19)5-3-2-4-6-15/h16,19H,2-13H2,1H3
InChIKeyXEKQJGFWMVTADL-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.29
Rot. Bonds5

About 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone

2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 103966507) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID103966507
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNCC2(CO)CCCCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-17-7-9-18(10-8-17)14(20)11-16-12-15(13-19)5-3-2-4-6-15/h16,19H,2-13H2,1H3
InChIKeyXEKQJGFWMVTADL-UHFFFAOYSA-N
XLogP0.29
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374
2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235035
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 107163702
methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540
1-(azepan-1-yl)-2-[[1-(dimethylamino)cyclopentyl]methylamino]ethanone
CID 78915392
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106101170
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide
CID 115359705
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 39036127
2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 81167943
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetamide
CID 115359623
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetamide
CID 103966529
[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol
CID 112703676

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone (CID 103966507) is 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CNCC2(CO)CCCCC2)CC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is XEKQJGFWMVTADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-17-7-9-18(10-8-17)14(20)11-16-12-15(13-19)5-3-2-4-6-15/h16,19H,2-13H2,1H3.
What are the key properties of 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 283.42 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 103966507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).