4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide

C12H17N3O — CID 103534085

IUPAC4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(OC)C2)cc1
InChIInChI=1S/C12H17N3O/c1-16-11-6-7-15(8-11)10-4-2-9(3-5-10)12(13)14/h2-5,11H,6-8H2,1H3,(H3,13,14)
InChIKeyBDPDNQUOIUWCFS-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.20
Rot. Bonds3

About 4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide

4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide (PubChem CID 103534085) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
PubChem CID103534085
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(OC)C2)cc1
InChIInChI=1S/C12H17N3O/c1-16-11-6-7-15(8-11)10-4-2-9(3-5-10)12(13)14/h2-5,11H,6-8H2,1H3,(H3,13,14)
InChIKeyBDPDNQUOIUWCFS-UHFFFAOYSA-N
XLogP1.20
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
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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Related Compounds

2-chloro-4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534098
4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide
CID 62132830
3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 43658309
2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
CID 102958478
2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide
CID 107550740
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzenecarboximidamide
CID 79938375
5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 102958460
4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43188175
4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide
CID 102958539
1-[4-(chloromethyl)phenyl]-3-methoxypyrrolidine
CID 103535515
2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 103534087
methyl 2-[1-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methyl]piperidin-4-yl]acetate
CID 19391523

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide (CID 103534085) is 4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCC(OC)C2)cc1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide?
The InChIKey is BDPDNQUOIUWCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-16-11-6-7-15(8-11)10-4-2-9(3-5-10)12(13)14/h2-5,11H,6-8H2,1H3,(H3,13,14).
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide?
4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide has a molecular weight of 219.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 103534085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).