1-hex-5-ynylpiperidin-4-one

C11H17NO — CID 106210482

IUPAC1-hex-5-ynylpiperidin-4-one
SMILESC#CCCCCN1CCC(=O)CC1
InChIInChI=1S/C11H17NO/c1-2-3-4-5-8-12-9-6-11(13)7-10-12/h1H,3-10H2
InChIKeyRAVYKQQWRGOLOM-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.45
Rot. Bonds4

About 1-hex-5-ynylpiperidin-4-one

1-hex-5-ynylpiperidin-4-one (PubChem CID 106210482) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-hex-5-ynylpiperidin-4-one.

Molecular Properties

Compound Name1-hex-5-ynylpiperidin-4-one
PubChem CID106210482
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-hex-5-ynylpiperidin-4-one
SMILESC#CCCCCN1CCC(=O)CC1
InChIInChI=1S/C11H17NO/c1-2-3-4-5-8-12-9-6-11(13)7-10-12/h1H,3-10H2
InChIKeyRAVYKQQWRGOLOM-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hex-5-ynylpyrrolidin-3-one
CID 106210491
1-pentadecylpiperidin-4-one
CID 10267366
1-pent-4-ynylpyrrolidine
CID 82363312
1-(3-fluoropropyl)piperidin-4-one
CID 81105604
butane;1-butylpiperidin-4-one
CID 177152756
3-(4-oxopiperidin-1-yl)propanenitrile;hydrochloride
CID 166451430
2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol
CID 176954240
1-(4-pent-4-ynylpiperazin-1-yl)ethanone
CID 115872696
1-pent-4-ynoylpiperidin-4-one
CID 131153334
1-methyl-4-pent-4-ynylpiperazine
CID 23446116
1-[3-(dipropylamino)propyl]piperidin-4-one
CID 18001996
1-(4-butoxybutyl)piperidin-4-one
CID 70278532

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-ynylpiperidin-4-one?
The IUPAC name of 1-hex-5-ynylpiperidin-4-one (CID 106210482) is 1-hex-5-ynylpiperidin-4-one.
What is the SMILES notation for 1-hex-5-ynylpiperidin-4-one?
The canonical SMILES for 1-hex-5-ynylpiperidin-4-one is C#CCCCCN1CCC(=O)CC1.
What is the InChIKey of 1-hex-5-ynylpiperidin-4-one?
The InChIKey is RAVYKQQWRGOLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-3-4-5-8-12-9-6-11(13)7-10-12/h1H,3-10H2.
What are the key properties of 1-hex-5-ynylpiperidin-4-one?
1-hex-5-ynylpiperidin-4-one has a molecular weight of 179.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-ynylpiperidin-4-one is sourced from PubChem (CID 106210482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).