1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one

C16H30N2O2 — CID 119646888

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one
SMILESCCNCC1CCN(C(=O)CCC2CCC(C)O2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-17-12-14-8-10-18(11-9-14)16(19)7-6-15-5-4-13(2)20-15/h13-15,17H,3-12H2,1-2H3
InChIKeyMCQNSTXCBHWURX-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds6

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one

1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one (PubChem CID 119646888) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one
PubChem CID119646888
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one
SMILESCCNCC1CCN(C(=O)CCC2CCC(C)O2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-17-12-14-8-10-18(11-9-14)16(19)7-6-15-5-4-13(2)20-15/h13-15,17H,3-12H2,1-2H3
InChIKeyMCQNSTXCBHWURX-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
CID 119423632
3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 119402493
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one
CID 119646790
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
3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 113411276
2-[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 125153357
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
CID 120814805
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid
CID 129468282
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one (CID 119646888) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one is CCNCC1CCN(C(=O)CCC2CCC(C)O2)CC1.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one?
The InChIKey is MCQNSTXCBHWURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-17-12-14-8-10-18(11-9-14)16(19)7-6-15-5-4-13(2)20-15/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one?
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.18, 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-(5-methyloxolan-2-yl)propan-1-one is sourced from PubChem (CID 119646888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).