N-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine

C19H23N3 — CID 13431722

IUPACN-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\c1ccccc1)c1ccccc1NC1CCN(C)CC1
InChIInChI=1S/C19H23N3/c1-22-13-11-16(12-14-22)21-18-10-6-5-9-17(18)19(20)15-7-3-2-4-8-15/h2-10,16,20-21H,11-14H2,1H3/b20-19+
InChIKeyRGKKCZWJUMYEBX-FMQUCBEESA-N
MW293.41 g/mol
LogP3.61
Rot. Bonds4

About N-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine

N-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine (PubChem CID 13431722) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine
PubChem CID13431722
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\c1ccccc1)c1ccccc1NC1CCN(C)CC1
InChIInChI=1S/C19H23N3/c1-22-13-11-16(12-14-22)21-18-10-6-5-9-17(18)19(20)15-7-3-2-4-8-15/h2-10,16,20-21H,11-14H2,1H3/b20-19+
InChIKeyRGKKCZWJUMYEBX-FMQUCBEESA-N
XLogP3.61
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine (CID 13431722) is N-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine is [H]/N=C(\c1ccccc1)c1ccccc1NC1CCN(C)CC1.
What is the InChIKey of N-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine?
The InChIKey is RGKKCZWJUMYEBX-FMQUCBEESA-N. The full InChI is InChI=1S/C19H23N3/c1-22-13-11-16(12-14-22)21-18-10-6-5-9-17(18)19(20)15-7-3-2-4-8-15/h2-10,16,20-21H,11-14H2,1H3/b20-19+.
What are the key properties of N-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine?
N-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine has a molecular weight of 293.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 13431722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).