N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide

C15H27N3O2 — CID 75497381

IUPACN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide
SMILESN/C(=N\CC1COC2(CCCCC2)O1)N1CCCCC1
InChIInChI=1S/C15H27N3O2/c16-14(18-9-5-2-6-10-18)17-11-13-12-19-15(20-13)7-3-1-4-8-15/h13H,1-12H2,(H2,16,17)
InChIKeyLGRDOPWBIOAVRY-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.86
Rot. Bonds2

About N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide

N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide (PubChem CID 75497381) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide
PubChem CID75497381
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide
SMILESN/C(=N\CC1COC2(CCCCC2)O1)N1CCCCC1
InChIInChI=1S/C15H27N3O2/c16-14(18-9-5-2-6-10-18)17-11-13-12-19-15(20-13)7-3-1-4-8-15/h13H,1-12H2,(H2,16,17)
InChIKeyLGRDOPWBIOAVRY-UHFFFAOYSA-N
XLogP1.86
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide (CID 75497381) is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide is N/C(=N\CC1COC2(CCCCC2)O1)N1CCCCC1.
What is the InChIKey of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is LGRDOPWBIOAVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-14(18-9-5-2-6-10-18)17-11-13-12-19-15(20-13)7-3-1-4-8-15/h13H,1-12H2,(H2,16,17).
What are the key properties of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide?
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 281.40 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 75497381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).