ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone

C12H25NO — CID 177135939

IUPACethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC.CC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C10H19NO.C2H6/c1-8(2)11-6-4-10(5-7-11)9(3)12;1-2/h8,10H,4-7H2,1-3H3;1-2H3
InChIKeyKOJRGMIAXPTUOL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds2

About ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone

ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone (PubChem CID 177135939) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
PubChem CID177135939
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC.CC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C10H19NO.C2H6/c1-8(2)11-6-4-10(5-7-11)9(3)12;1-2/h8,10H,4-7H2,1-3H3;1-2H3
InChIKeyKOJRGMIAXPTUOL-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide
CID 155453359
propan-2-one;1-propan-2-ylpyrrolidine
CID 160872903
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
potassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 169268303
2-(4-acetylpiperidin-1-yl)-N-propan-2-ylpropanamide
CID 55258721
cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone
CID 58803042
N-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 28955653
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone
CID 121368635
N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide
CID 167004447

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone (CID 177135939) is ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone is CC.CC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone?
The InChIKey is KOJRGMIAXPTUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-8(2)11-6-4-10(5-7-11)9(3)12;1-2/h8,10H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone?
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone has a molecular weight of 199.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 177135939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).