2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone

C16H31N3O — CID 62782730

IUPAC2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone
SMILESCN(C)CC1CCN(C(=O)CC2CCCCC2N)CC1
InChIInChI=1S/C16H31N3O/c1-18(2)12-13-7-9-19(10-8-13)16(20)11-14-5-3-4-6-15(14)17/h13-15H,3-12,17H2,1-2H3
InChIKeyDZJMILHUJRXBGX-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.69
Rot. Bonds4

About 2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone

2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone (PubChem CID 62782730) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone
PubChem CID62782730
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone
SMILESCN(C)CC1CCN(C(=O)CC2CCCCC2N)CC1
InChIInChI=1S/C16H31N3O/c1-18(2)12-13-7-9-19(10-8-13)16(20)11-14-5-3-4-6-15(14)17/h13-15H,3-12,17H2,1-2H3
InChIKeyDZJMILHUJRXBGX-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone (CID 62782730) is 2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone is CN(C)CC1CCN(C(=O)CC2CCCCC2N)CC1.
What is the InChIKey of 2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone?
The InChIKey is DZJMILHUJRXBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-18(2)12-13-7-9-19(10-8-13)16(20)11-14-5-3-4-6-15(14)17/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone?
2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 62782730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).