ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one

C13H27NO — CID 144584534

IUPACethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC.CCC(=O)N1CCCC(C(C)C)C1
InChIInChI=1S/C11H21NO.C2H6/c1-4-11(13)12-7-5-6-10(8-12)9(2)3;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyZIYZOYHPVDHOFR-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.32
Rot. Bonds2

About ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one

ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 144584534) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Nameethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID144584534
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Nameethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC.CCC(=O)N1CCCC(C(C)C)C1
InChIInChI=1S/C11H21NO.C2H6/c1-4-11(13)12-7-5-6-10(8-12)9(2)3;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyZIYZOYHPVDHOFR-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3S)-3-ethylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-propan-2-ylpiperidin-1-yl]butan-1-one
CID 156718641
3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
CID 58395437
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241729
2-methyl-1-[(3S)-3-propan-2-ylazepan-1-yl]propan-1-one
CID 156676279
2-chloro-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 129497014
(E)-1-[(3S)-3-propan-2-ylpiperidin-1-yl]but-2-en-1-one
CID 121486095
1-(3-tert-butylpiperidin-1-yl)propan-1-one
CID 59751403
1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496090
1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496088
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 119595149
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one (CID 144584534) is ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one is CC.CCC(=O)N1CCCC(C(C)C)C1.
What is the InChIKey of ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is ZIYZOYHPVDHOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-4-11(13)12-7-5-6-10(8-12)9(2)3;1-2/h9-10H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one?
ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 213.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 144584534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).