1-piperidin-1-ylhex-4-yn-1-one

C11H17NO — CID 173025445

IUPAC1-piperidin-1-ylhex-4-yn-1-one
SMILESCC#CCCC(=O)N1CCCCC1
InChIInChI=1S/C11H17NO/c1-2-3-5-8-11(13)12-9-6-4-7-10-12/h4-10H2,1H3
InChIKeyVKEDPZHITDOENY-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.80
Rot. Bonds2

About 1-piperidin-1-ylhex-4-yn-1-one

1-piperidin-1-ylhex-4-yn-1-one (PubChem CID 173025445) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-piperidin-1-ylhex-4-yn-1-one.

Molecular Properties

Compound Name1-piperidin-1-ylhex-4-yn-1-one
PubChem CID173025445
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-piperidin-1-ylhex-4-yn-1-one
SMILESCC#CCCC(=O)N1CCCCC1
InChIInChI=1S/C11H17NO/c1-2-3-5-8-11(13)12-9-6-4-7-10-12/h4-10H2,1H3
InChIKeyVKEDPZHITDOENY-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-(azepan-1-yl)-4-oxobutanenitrile
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2-methyl-2-piperidin-1-yloct-6-yn-3-one
CID 104803362
1-(azepan-1-yl)-3-hydroxypropan-1-one
CID 82111325
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
1-pyrrolidin-1-yloctadec-11-yn-1-one
CID 574709
1-(azepan-1-yl)propan-1-one
CID 3613534
1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one
CID 170029920

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylhex-4-yn-1-one?
The IUPAC name of 1-piperidin-1-ylhex-4-yn-1-one (CID 173025445) is 1-piperidin-1-ylhex-4-yn-1-one.
What is the SMILES notation for 1-piperidin-1-ylhex-4-yn-1-one?
The canonical SMILES for 1-piperidin-1-ylhex-4-yn-1-one is CC#CCCC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylhex-4-yn-1-one?
The InChIKey is VKEDPZHITDOENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-3-5-8-11(13)12-9-6-4-7-10-12/h4-10H2,1H3.
What are the key properties of 1-piperidin-1-ylhex-4-yn-1-one?
1-piperidin-1-ylhex-4-yn-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylhex-4-yn-1-one is sourced from PubChem (CID 173025445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).