3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one

C12H24N2O — CID 58662028

IUPAC3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-4-11-5-9-14(10-6-11)12(15)7-8-13(2)3/h11H,4-10H2,1-3H3
InChIKeyWMTHJDBTGZSWEC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.59
Rot. Bonds4

About 3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one

3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one (PubChem CID 58662028) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
PubChem CID58662028
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-4-11-5-9-14(10-6-11)12(15)7-8-13(2)3/h11H,4-10H2,1-3H3
InChIKeyWMTHJDBTGZSWEC-UHFFFAOYSA-N
XLogP1.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-1-[4-(1-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 112537564
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
1-(4-ethylpiperidin-1-yl)hex-5-yn-1-one
CID 89040804
3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980779
3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 54873639
N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate
CID 23153551
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 70906866
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110603336
3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 146558847

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one (CID 58662028) is 3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one is CCC1CCN(C(=O)CCN(C)C)CC1.
What is the InChIKey of 3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is WMTHJDBTGZSWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-11-5-9-14(10-6-11)12(15)7-8-13(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one?
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 58662028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).