1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one

C15H30N2OS — CID 119648398

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one
SMILESCCNCC1CCN(C(=O)C(SCC)C(C)C)CC1
InChIInChI=1S/C15H30N2OS/c1-5-16-11-13-7-9-17(10-8-13)15(18)14(12(3)4)19-6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyFKIFNRGIDOFQRX-UHFFFAOYSA-N
MW286.49 g/mol
LogP2.61
Rot. Bonds7

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one (PubChem CID 119648398) has the molecular formula C15H30N2OS and a molecular weight of 286.49 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one
PubChem CID119648398
Molecular FormulaC15H30N2OS
Molecular Weight286.49 g/mol
Exact Mass286.21
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one
SMILESCCNCC1CCN(C(=O)C(SCC)C(C)C)CC1
InChIInChI=1S/C15H30N2OS/c1-5-16-11-13-7-9-17(10-8-13)15(18)14(12(3)4)19-6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyFKIFNRGIDOFQRX-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647696
(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 122080878
1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310424
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 119648156
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen
CID 144853356
2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119644529
2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119648320
cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119647793
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylbutylsulfanyl)ethanone
CID 119647236

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one (CID 119648398) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one is CCNCC1CCN(C(=O)C(SCC)C(C)C)CC1.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one?
The InChIKey is FKIFNRGIDOFQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-5-16-11-13-7-9-17(10-8-13)15(18)14(12(3)4)19-6-2/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one?
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one has a molecular weight of 286.49 g/mol, XLogP of 2.61, 7 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]-2-ethylsulfanyl-3-methylbutan-1-one is sourced from PubChem (CID 119648398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).