(3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide

C14H19N3O2 — CID 123132938

IUPAC(3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC[C@H](Cc2cccc3c2OCO3)C1
InChIInChI=1S/C14H19N3O2/c15-14(16)17-6-2-3-10(8-17)7-11-4-1-5-12-13(11)19-9-18-12/h1,4-5,10H,2-3,6-9H2,(H3,15,16)/t10-/m1/s1
InChIKeyLRVQENWFPVOJJS-SNVBAGLBSA-N
MW261.32 g/mol
LogP1.56
Rot. Bonds2

About (3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide

(3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide (PubChem CID 123132938) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name(3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide
PubChem CID123132938
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC[C@H](Cc2cccc3c2OCO3)C1
InChIInChI=1S/C14H19N3O2/c15-14(16)17-6-2-3-10(8-17)7-11-4-1-5-12-13(11)19-9-18-12/h1,4-5,10H,2-3,6-9H2,(H3,15,16)/t10-/m1/s1
InChIKeyLRVQENWFPVOJJS-SNVBAGLBSA-N
XLogP1.56
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
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 (3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of (3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide (CID 123132938) is (3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for (3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for (3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC[C@H](Cc2cccc3c2OCO3)C1.
What is the InChIKey of (3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is LRVQENWFPVOJJS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-14(16)17-6-2-3-10(8-17)7-11-4-1-5-12-13(11)19-9-18-12/h1,4-5,10H,2-3,6-9H2,(H3,15,16)/t10-/m1/s1.
What are the key properties of (3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide?
(3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 261.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,3-benzodioxol-4-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 123132938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).