5-(3-propoxypiperidin-1-yl)pentanimidamide

C13H27N3O — CID 54985353

IUPAC5-(3-propoxypiperidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCCC(OCCC)C1
InChIInChI=1S/C13H27N3O/c1-2-10-17-12-6-5-9-16(11-12)8-4-3-7-13(14)15/h12H,2-11H2,1H3,(H3,14,15)
InChIKeyCXKOQOAMBNHSQC-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.98
Rot. Bonds8

About 5-(3-propoxypiperidin-1-yl)pentanimidamide

5-(3-propoxypiperidin-1-yl)pentanimidamide (PubChem CID 54985353) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 5-(3-propoxypiperidin-1-yl)pentanimidamide.

Molecular Properties

Compound Name5-(3-propoxypiperidin-1-yl)pentanimidamide
PubChem CID54985353
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name5-(3-propoxypiperidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCCC(OCCC)C1
InChIInChI=1S/C13H27N3O/c1-2-10-17-12-6-5-9-16(11-12)8-4-3-7-13(14)15/h12H,2-11H2,1H3,(H3,14,15)
InChIKeyCXKOQOAMBNHSQC-UHFFFAOYSA-N
XLogP1.98
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propoxypiperidin-1-yl)pentanimidamide?
The IUPAC name of 5-(3-propoxypiperidin-1-yl)pentanimidamide (CID 54985353) is 5-(3-propoxypiperidin-1-yl)pentanimidamide.
What is the SMILES notation for 5-(3-propoxypiperidin-1-yl)pentanimidamide?
The canonical SMILES for 5-(3-propoxypiperidin-1-yl)pentanimidamide is [H]/N=C(\N)CCCCN1CCCC(OCCC)C1.
What is the InChIKey of 5-(3-propoxypiperidin-1-yl)pentanimidamide?
The InChIKey is CXKOQOAMBNHSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-10-17-12-6-5-9-16(11-12)8-4-3-7-13(14)15/h12H,2-11H2,1H3,(H3,14,15).
What are the key properties of 5-(3-propoxypiperidin-1-yl)pentanimidamide?
5-(3-propoxypiperidin-1-yl)pentanimidamide has a molecular weight of 241.38 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propoxypiperidin-1-yl)pentanimidamide is sourced from PubChem (CID 54985353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).