1-piperidin-1-ylhept-6-yn-1-one

C12H19NO — CID 103907305

IUPAC1-piperidin-1-ylhept-6-yn-1-one
SMILESC#CCCCCC(=O)N1CCCCC1
InChIInChI=1S/C12H19NO/c1-2-3-4-6-9-12(14)13-10-7-5-8-11-13/h1H,3-11H2
InChIKeyDBQKUTLBNPNRHQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.19
Rot. Bonds4

About 1-piperidin-1-ylhept-6-yn-1-one

1-piperidin-1-ylhept-6-yn-1-one (PubChem CID 103907305) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-piperidin-1-ylhept-6-yn-1-one.

Molecular Properties

Compound Name1-piperidin-1-ylhept-6-yn-1-one
PubChem CID103907305
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-piperidin-1-ylhept-6-yn-1-one
SMILESC#CCCCCC(=O)N1CCCCC1
InChIInChI=1S/C12H19NO/c1-2-3-4-6-9-12(14)13-10-7-5-8-11-13/h1H,3-11H2
InChIKeyDBQKUTLBNPNRHQ-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-Hexanoylpiperidine
CID 246831
1-(Prop-2-yn-1-yl)piperidin-2-one
CID 13289794
N,N-diethylhept-6-ynamide
CID 86003253
N-dec-9-ynyl-N-methylhept-6-ynamide
CID 134884905
8,8-Dimethyl-1-piperidin-1-ylnon-6-yn-1-one
CID 166447533
N,N-diethyloct-7-ynamide
CID 176433656
1-(4,4-Difluoropiperidin-1-yl)hept-6-yn-1-one
CID 138985978
1-(3,3-Difluoropiperidin-1-yl)hept-6-yn-1-one
CID 138985980
1-(2-Methylpiperidin-1-yl)hexan-1-one
CID 304110
1-Pent-4-ynylpiperidine-2,6-dione
CID 10888507
1-Piperidin-1-ylheptan-1-one
CID 3614649
1-(Piperidin-1-yl)pent-4-yn-1-one
CID 13765093

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylhept-6-yn-1-one?
The IUPAC name of 1-piperidin-1-ylhept-6-yn-1-one (CID 103907305) is 1-piperidin-1-ylhept-6-yn-1-one.
What is the SMILES notation for 1-piperidin-1-ylhept-6-yn-1-one?
The canonical SMILES for 1-piperidin-1-ylhept-6-yn-1-one is C#CCCCCC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylhept-6-yn-1-one?
The InChIKey is DBQKUTLBNPNRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-4-6-9-12(14)13-10-7-5-8-11-13/h1H,3-11H2.
What are the key properties of 1-piperidin-1-ylhept-6-yn-1-one?
1-piperidin-1-ylhept-6-yn-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylhept-6-yn-1-one is sourced from PubChem (CID 103907305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).