2-(2-methylidenepiperidin-1-yl)-2-propylpentanal

C14H25NO — CID 143658733

IUPAC2-(2-methylidenepiperidin-1-yl)-2-propylpentanal
SMILESC=C1CCCCN1C(C=O)(CCC)CCC
InChIInChI=1S/C14H25NO/c1-4-9-14(12-16,10-5-2)15-11-7-6-8-13(15)3/h12H,3-11H2,1-2H3
InChIKeyOCXOCWGCWDTGJS-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.52
Rot. Bonds6

About 2-(2-methylidenepiperidin-1-yl)-2-propylpentanal

2-(2-methylidenepiperidin-1-yl)-2-propylpentanal (PubChem CID 143658733) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(2-methylidenepiperidin-1-yl)-2-propylpentanal.

Molecular Properties

Compound Name2-(2-methylidenepiperidin-1-yl)-2-propylpentanal
PubChem CID143658733
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(2-methylidenepiperidin-1-yl)-2-propylpentanal
SMILESC=C1CCCCN1C(C=O)(CCC)CCC
InChIInChI=1S/C14H25NO/c1-4-9-14(12-16,10-5-2)15-11-7-6-8-13(15)3/h12H,3-11H2,1-2H3
InChIKeyOCXOCWGCWDTGJS-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidenepiperidin-1-yl)-2-propylpentanal?
The IUPAC name of 2-(2-methylidenepiperidin-1-yl)-2-propylpentanal (CID 143658733) is 2-(2-methylidenepiperidin-1-yl)-2-propylpentanal.
What is the SMILES notation for 2-(2-methylidenepiperidin-1-yl)-2-propylpentanal?
The canonical SMILES for 2-(2-methylidenepiperidin-1-yl)-2-propylpentanal is C=C1CCCCN1C(C=O)(CCC)CCC.
What is the InChIKey of 2-(2-methylidenepiperidin-1-yl)-2-propylpentanal?
The InChIKey is OCXOCWGCWDTGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-9-14(12-16,10-5-2)15-11-7-6-8-13(15)3/h12H,3-11H2,1-2H3.
What are the key properties of 2-(2-methylidenepiperidin-1-yl)-2-propylpentanal?
2-(2-methylidenepiperidin-1-yl)-2-propylpentanal has a molecular weight of 223.36 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenepiperidin-1-yl)-2-propylpentanal is sourced from PubChem (CID 143658733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).