1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone

C17H33N3O — CID 106632312

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone
SMILESCCN(CC(=O)N1C(C)CCCC1C)CC1CCCCN1
InChIInChI=1S/C17H33N3O/c1-4-19(12-16-10-5-6-11-18-16)13-17(21)20-14(2)8-7-9-15(20)3/h14-16,18H,4-13H2,1-3H3
InChIKeyYXBNIHSBJVHIIY-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.24
Rot. Bonds5

About 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone (PubChem CID 106632312) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone
PubChem CID106632312
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone
SMILESCCN(CC(=O)N1C(C)CCCC1C)CC1CCCCN1
InChIInChI=1S/C17H33N3O/c1-4-19(12-16-10-5-6-11-18-16)13-17(21)20-14(2)8-7-9-15(20)3/h14-16,18H,4-13H2,1-3H3
InChIKeyYXBNIHSBJVHIIY-UHFFFAOYSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 104979273
1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone
CID 106615332
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-carbamoyl-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615126
2-[ethyl(piperidin-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 106632408
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622509
N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
1-(2-methylpiperidin-1-yl)-2-[methyl(piperidin-2-ylmethyl)amino]ethanone
CID 106635178
1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone
CID 106636149
2-(2,5-dimethylpyrrolidin-1-yl)-N-ethyl-N-(piperidin-2-ylmethyl)propanamide
CID 106626206

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone (CID 106632312) is 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone is CCN(CC(=O)N1C(C)CCCC1C)CC1CCCCN1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone?
The InChIKey is YXBNIHSBJVHIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-19(12-16-10-5-6-11-18-16)13-17(21)20-14(2)8-7-9-15(20)3/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone has a molecular weight of 295.47 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 106632312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).