ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one

C18H36N2O — CID 178000200

IUPACethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one
SMILESCC.CCC1CCN(CC2CCN(CC(C)=O)CC2)CC1
InChIInChI=1S/C16H30N2O.C2H6/c1-3-15-4-8-18(9-5-15)13-16-6-10-17(11-7-16)12-14(2)19;1-2/h15-16H,3-13H2,1-2H3;1-2H3
InChIKeySGFACRHLWAZTMZ-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.44
Rot. Bonds5

About ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one

ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one (PubChem CID 178000200) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one.

Molecular Properties

Compound Nameethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one
PubChem CID178000200
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Nameethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one
SMILESCC.CCC1CCN(CC2CCN(CC(C)=O)CC2)CC1
InChIInChI=1S/C16H30N2O.C2H6/c1-3-15-4-8-18(9-5-15)13-16-6-10-17(11-7-16)12-14(2)19;1-2/h15-16H,3-13H2,1-2H3;1-2H3
InChIKeySGFACRHLWAZTMZ-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Fluoro-3,9-diazaspiro[5.5]undecan-9-yl)propan-2-one
CID 156886373
1-(4-Methylpiperidin-1-yl)propan-2-one
CID 20752913
4-(4-Propan-2-ylpiperidin-1-yl)-3-[(4-propan-2-ylpiperidin-1-yl)methyl]butan-2-one
CID 23456667
3-Methyl-1-(4-methylpiperidin-1-yl)butan-2-one
CID 23588199
1-(4-Ethylpiperidin-1-yl)propan-2-one
CID 61421782
1-(4-Methylpiperidin-1-yl)butan-2-one
CID 62039292
1-(4-Ethylpiperidin-1-yl)butan-2-one
CID 62040573
1-[Methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-one
CID 63236860
1-(4-Ethylpiperidin-1-yl)-3-methylbutan-2-one
CID 79395914
1-[4-[[1-(2-Oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one
CID 90441072
1-(1-Ethyl-4-methylpiperidin-1-ium-1-yl)propan-2-one
CID 123496219
1-(1-Azoniabicyclo[2.2.2]octan-1-yl)propan-2-one
CID 123847315

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one?
The IUPAC name of ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one (CID 178000200) is ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one.
What is the SMILES notation for ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one?
The canonical SMILES for ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one is CC.CCC1CCN(CC2CCN(CC(C)=O)CC2)CC1.
What is the InChIKey of ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one?
The InChIKey is SGFACRHLWAZTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.C2H6/c1-3-15-4-8-18(9-5-15)13-16-6-10-17(11-7-16)12-14(2)19;1-2/h15-16H,3-13H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one?
ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one has a molecular weight of 296.50 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one is sourced from PubChem (CID 178000200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).