1-(4-propylpiperidin-4-yl)pent-3-yn-1-one

C13H21NO — CID 116569082

IUPAC1-(4-propylpiperidin-4-yl)pent-3-yn-1-one
SMILESCC#CCC(=O)C1(CCC)CCNCC1
InChIInChI=1S/C13H21NO/c1-3-5-6-12(15)13(7-4-2)8-10-14-11-9-13/h14H,4,6-11H2,1-2H3
InChIKeyWSCGHIIEOQCBDA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-propylpiperidin-4-yl)pent-3-yn-1-one

1-(4-propylpiperidin-4-yl)pent-3-yn-1-one (PubChem CID 116569082) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-propylpiperidin-4-yl)pent-3-yn-1-one.

Molecular Properties

Compound Name1-(4-propylpiperidin-4-yl)pent-3-yn-1-one
PubChem CID116569082
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-propylpiperidin-4-yl)pent-3-yn-1-one
SMILESCC#CCC(=O)C1(CCC)CCNCC1
InChIInChI=1S/C13H21NO/c1-3-5-6-12(15)13(7-4-2)8-10-14-11-9-13/h14H,4,6-11H2,1-2H3
InChIKeyWSCGHIIEOQCBDA-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylpiperidin-4-yl)pent-3-yn-1-one?
The IUPAC name of 1-(4-propylpiperidin-4-yl)pent-3-yn-1-one (CID 116569082) is 1-(4-propylpiperidin-4-yl)pent-3-yn-1-one.
What is the SMILES notation for 1-(4-propylpiperidin-4-yl)pent-3-yn-1-one?
The canonical SMILES for 1-(4-propylpiperidin-4-yl)pent-3-yn-1-one is CC#CCC(=O)C1(CCC)CCNCC1.
What is the InChIKey of 1-(4-propylpiperidin-4-yl)pent-3-yn-1-one?
The InChIKey is WSCGHIIEOQCBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-5-6-12(15)13(7-4-2)8-10-14-11-9-13/h14H,4,6-11H2,1-2H3.
What are the key properties of 1-(4-propylpiperidin-4-yl)pent-3-yn-1-one?
1-(4-propylpiperidin-4-yl)pent-3-yn-1-one has a molecular weight of 207.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpiperidin-4-yl)pent-3-yn-1-one is sourced from PubChem (CID 116569082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).