1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one

C10H19NO — CID 40538705

IUPAC1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC[C@H]1CC
InChIInChI=1S/C10H19NO/c1-3-9-7-5-6-8-11(9)10(12)4-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyXMLOQDBFVNISQS-SECBINFHSA-N
MW169.27 g/mol
LogP2.19
Rot. Bonds2

About 1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one

1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one (PubChem CID 40538705) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
PubChem CID40538705
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC[C@H]1CC
InChIInChI=1S/C10H19NO/c1-3-9-7-5-6-8-11(9)10(12)4-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyXMLOQDBFVNISQS-SECBINFHSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42891834
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
(1-propanoylpyrrolidin-2-yl)methanesulfonamide
CID 174111492
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
2-(ethylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 60686637
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
1-(2-ethylazepan-1-yl)ethanone
CID 115642380

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one (CID 40538705) is 1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one is CCC(=O)N1CCCC[C@H]1CC.
What is the InChIKey of 1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one?
The InChIKey is XMLOQDBFVNISQS-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9-7-5-6-8-11(9)10(12)4-2/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one?
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one has a molecular weight of 169.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 40538705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).