piperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine

C16H22N2 — CID 65404688

IUPACpiperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine
SMILES[H]/N=C(/C1CCc2ccccc2C1)N1CCCCC1
InChIInChI=1S/C16H22N2/c17-16(18-10-4-1-5-11-18)15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-7,15,17H,1,4-5,8-12H2/b17-16-
InChIKeyONWUKEJCRASABV-MSUUIHNZSA-N
MW242.37 g/mol
LogP3.25
Rot. Bonds1

About piperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine

piperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine (PubChem CID 65404688) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is piperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine.

Molecular Properties

Compound Namepiperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine
PubChem CID65404688
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Namepiperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine
SMILES[H]/N=C(/C1CCc2ccccc2C1)N1CCCCC1
InChIInChI=1S/C16H22N2/c17-16(18-10-4-1-5-11-18)15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-7,15,17H,1,4-5,8-12H2/b17-16-
InChIKeyONWUKEJCRASABV-MSUUIHNZSA-N
XLogP3.25
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.25
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 piperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine?
The IUPAC name of piperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine (CID 65404688) is piperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine.
What is the SMILES notation for piperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine?
The canonical SMILES for piperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine is [H]/N=C(/C1CCc2ccccc2C1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine?
The InChIKey is ONWUKEJCRASABV-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H22N2/c17-16(18-10-4-1-5-11-18)15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-7,15,17H,1,4-5,8-12H2/b17-16-.
What are the key properties of piperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine?
piperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine has a molecular weight of 242.37 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine is sourced from PubChem (CID 65404688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).