2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine

C15H22N2 — CID 63179716

IUPAC2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine
SMILES[H]/N=C(/Cc1ccc(C)c(C)c1)N1CCCCC1
InChIInChI=1S/C15H22N2/c1-12-6-7-14(10-13(12)2)11-15(16)17-8-4-3-5-9-17/h6-7,10,16H,3-5,8-9,11H2,1-2H3/b16-15-
InChIKeyKMSRQHOLJFRKHE-NXVVXOECSA-N
MW230.36 g/mol
LogP3.31
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine

2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine (PubChem CID 63179716) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine
PubChem CID63179716
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine
SMILES[H]/N=C(/Cc1ccc(C)c(C)c1)N1CCCCC1
InChIInChI=1S/C15H22N2/c1-12-6-7-14(10-13(12)2)11-15(16)17-8-4-3-5-9-17/h6-7,10,16H,3-5,8-9,11H2,1-2H3/b16-15-
InChIKeyKMSRQHOLJFRKHE-NXVVXOECSA-N
XLogP3.31
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine (CID 63179716) is 2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine is [H]/N=C(/Cc1ccc(C)c(C)c1)N1CCCCC1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine?
The InChIKey is KMSRQHOLJFRKHE-NXVVXOECSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-6-7-14(10-13(12)2)11-15(16)17-8-4-3-5-9-17/h6-7,10,16H,3-5,8-9,11H2,1-2H3/b16-15-.
What are the key properties of 2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine?
2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine has a molecular weight of 230.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine is sourced from PubChem (CID 63179716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).