1-piperidin-4-ylpropan-1-one;hydroiodide

C8H16INO — CID 142277928

IUPAC1-piperidin-4-ylpropan-1-one;hydroiodide
SMILESCCC(=O)C1CCNCC1.I
InChIInChI=1S/C8H15NO.HI/c1-2-8(10)7-3-5-9-6-4-7;/h7,9H,2-6H2,1H3;1H
InChIKeyKCNWJPKOHXOGBI-UHFFFAOYSA-N
MW269.13 g/mol
LogP1.58
Rot. Bonds2

About 1-piperidin-4-ylpropan-1-one;hydroiodide

1-piperidin-4-ylpropan-1-one;hydroiodide (PubChem CID 142277928) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is 1-piperidin-4-ylpropan-1-one;hydroiodide.

Molecular Properties

Compound Name1-piperidin-4-ylpropan-1-one;hydroiodide
PubChem CID142277928
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC Name1-piperidin-4-ylpropan-1-one;hydroiodide
SMILESCCC(=O)C1CCNCC1.I
InChIInChI=1S/C8H15NO.HI/c1-2-8(10)7-3-5-9-6-4-7;/h7,9H,2-6H2,1H3;1H
InChIKeyKCNWJPKOHXOGBI-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)-1-piperidin-4-ylethanone
CID 115006957
1-(4-hydroxycyclohexyl)propan-1-one
CID 51039861
1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone
CID 116559958
1-(2-methylpiperidin-4-yl)propan-1-one
CID 165461766
4-propanoylcyclohexane-1-carboxamide
CID 118218321
1-(azetidin-3-yl)propan-1-one;hydrochloride
CID 142435570
4-methyl-1-piperidin-4-ylpent-4-en-1-one
CID 114477846
1-piperidin-4-ylethanone
CID 2723764
1-(azepan-4-yl)-2-(diethylamino)ethanone
CID 115007037
N'-propanoylpiperidine-4-carbohydrazide
CID 82112301
1-(azepan-4-yl)-2-methylsulfanylethanone
CID 115017399
N-methyl-4-propanoylcyclohexane-1-carboxamide
CID 170174898

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylpropan-1-one;hydroiodide?
The IUPAC name of 1-piperidin-4-ylpropan-1-one;hydroiodide (CID 142277928) is 1-piperidin-4-ylpropan-1-one;hydroiodide.
What is the SMILES notation for 1-piperidin-4-ylpropan-1-one;hydroiodide?
The canonical SMILES for 1-piperidin-4-ylpropan-1-one;hydroiodide is CCC(=O)C1CCNCC1.I.
What is the InChIKey of 1-piperidin-4-ylpropan-1-one;hydroiodide?
The InChIKey is KCNWJPKOHXOGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.HI/c1-2-8(10)7-3-5-9-6-4-7;/h7,9H,2-6H2,1H3;1H.
What are the key properties of 1-piperidin-4-ylpropan-1-one;hydroiodide?
1-piperidin-4-ylpropan-1-one;hydroiodide has a molecular weight of 269.13 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpropan-1-one;hydroiodide is sourced from PubChem (CID 142277928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).