1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one

C15H28N2O2 — CID 119646790

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one
SMILESCCNCC1CCN(C(=O)CCC2CCOC2)CC1
InChIInChI=1S/C15H28N2O2/c1-2-16-11-13-5-8-17(9-6-13)15(18)4-3-14-7-10-19-12-14/h13-14,16H,2-12H2,1H3
InChIKeyFTWNYOSRPYPGPA-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds6

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one

1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one (PubChem CID 119646790) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one
PubChem CID119646790
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one
SMILESCCNCC1CCN(C(=O)CCC2CCOC2)CC1
InChIInChI=1S/C15H28N2O2/c1-2-16-11-13-5-8-17(9-6-13)15(18)4-3-14-7-10-19-12-14/h13-14,16H,2-12H2,1H3
InChIKeyFTWNYOSRPYPGPA-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one with MolForge

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Related Compounds

3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one
CID 119646888
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
CID 119648376
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119261251
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one
CID 45182196
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863
tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 79698015
1-[4-(ethylaminomethyl)piperidin-1-yl]-5-methylsulfanylpentan-1-one;hydrochloride
CID 119645132
methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate
CID 25450495

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one (CID 119646790) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one is CCNCC1CCN(C(=O)CCC2CCOC2)CC1.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one?
The InChIKey is FTWNYOSRPYPGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-16-11-13-5-8-17(9-6-13)15(18)4-3-14-7-10-19-12-14/h13-14,16H,2-12H2,1H3.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one?
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one is sourced from PubChem (CID 119646790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).