1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine

C17H25N3 — CID 139692559

IUPAC1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine
SMILESCC1CCCN(C)/C1=N/c1ccccc1N1CCCC1
InChIInChI=1S/C17H25N3/c1-14-8-7-11-19(2)17(14)18-15-9-3-4-10-16(15)20-12-5-6-13-20/h3-4,9-10,14H,5-8,11-13H2,1-2H3/b18-17+
InChIKeyLBMKECKIWNOVFX-ISLYRVAYSA-N
MW271.41 g/mol
LogP3.68
Rot. Bonds2

About 1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine

1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine (PubChem CID 139692559) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine
PubChem CID139692559
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine
SMILESCC1CCCN(C)/C1=N/c1ccccc1N1CCCC1
InChIInChI=1S/C17H25N3/c1-14-8-7-11-19(2)17(14)18-15-9-3-4-10-16(15)20-12-5-6-13-20/h3-4,9-10,14H,5-8,11-13H2,1-2H3/b18-17+
InChIKeyLBMKECKIWNOVFX-ISLYRVAYSA-N
XLogP3.68
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine?
The IUPAC name of 1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine (CID 139692559) is 1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine.
What is the SMILES notation for 1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine?
The canonical SMILES for 1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine is CC1CCCN(C)/C1=N/c1ccccc1N1CCCC1.
What is the InChIKey of 1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine?
The InChIKey is LBMKECKIWNOVFX-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14-8-7-11-19(2)17(14)18-15-9-3-4-10-16(15)20-12-5-6-13-20/h3-4,9-10,14H,5-8,11-13H2,1-2H3/b18-17+.
What are the key properties of 1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine?
1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine has a molecular weight of 271.41 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine is sourced from PubChem (CID 139692559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).