2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide

C12H23N3O — CID 102958559

IUPAC2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCCC(OC)C2)CC1
InChIInChI=1S/C12H23N3O/c1-16-10-3-2-6-15(8-10)9-12(4-5-12)7-11(13)14/h10H,2-9H2,1H3,(H3,13,14)
InChIKeyFRJRYYJEGOGITI-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.20
Rot. Bonds5

About 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide

2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 102958559) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID102958559
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCCC(OC)C2)CC1
InChIInChI=1S/C12H23N3O/c1-16-10-3-2-6-15(8-10)9-12(4-5-12)7-11(13)14/h10H,2-9H2,1H3,(H3,13,14)
InChIKeyFRJRYYJEGOGITI-UHFFFAOYSA-N
XLogP1.20
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.20
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 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide (CID 102958559) is 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN2CCCC(OC)C2)CC1.
What is the InChIKey of 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is FRJRYYJEGOGITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-16-10-3-2-6-15(8-10)9-12(4-5-12)7-11(13)14/h10H,2-9H2,1H3,(H3,13,14).
What are the key properties of 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 225.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 102958559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).