N-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine

C16H24N2 — CID 23823711

IUPACN-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine
SMILESCC1CC(C)N(C)CC1/C=N/Cc1ccccc1
InChIInChI=1S/C16H24N2/c1-13-9-14(2)18(3)12-16(13)11-17-10-15-7-5-4-6-8-15/h4-8,11,13-14,16H,9-10,12H2,1-3H3/b17-11+
InChIKeyAJIWSPZGTIFWFI-GZTJUZNOSA-N
MW244.38 g/mol
LogP3.23
Rot. Bonds3

About N-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine

N-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine (PubChem CID 23823711) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine
PubChem CID23823711
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine
SMILESCC1CC(C)N(C)CC1/C=N/Cc1ccccc1
InChIInChI=1S/C16H24N2/c1-13-9-14(2)18(3)12-16(13)11-17-10-15-7-5-4-6-8-15/h4-8,11,13-14,16H,9-10,12H2,1-3H3/b17-11+
InChIKeyAJIWSPZGTIFWFI-GZTJUZNOSA-N
XLogP3.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.23
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 N-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine?
The IUPAC name of N-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine (CID 23823711) is N-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine.
What is the SMILES notation for N-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine?
The canonical SMILES for N-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine is CC1CC(C)N(C)CC1/C=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine?
The InChIKey is AJIWSPZGTIFWFI-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-9-14(2)18(3)12-16(13)11-17-10-15-7-5-4-6-8-15/h4-8,11,13-14,16H,9-10,12H2,1-3H3/b17-11+.
What are the key properties of N-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine?
N-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine has a molecular weight of 244.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine is sourced from PubChem (CID 23823711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).