N-[2-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine

C19H21ClFN3 — CID 13431733

IUPACN-[2-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\c1ccccc1Cl)c1cc(F)ccc1NC1CCN(C)CC1
InChIInChI=1S/C19H21ClFN3/c1-24-10-8-14(9-11-24)23-18-7-6-13(21)12-16(18)19(22)15-4-2-3-5-17(15)20/h2-7,12,14,22-23H,8-11H2,1H3/b22-19+
InChIKeyMHPOBFCGJIOLQN-ZBJSNUHESA-N
MW345.85 g/mol
LogP4.40
Rot. Bonds4

About N-[2-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine

N-[2-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine (PubChem CID 13431733) has the molecular formula C19H21ClFN3 and a molecular weight of 345.85 g/mol. Its IUPAC name is N-[2-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine
PubChem CID13431733
Molecular FormulaC19H21ClFN3
Molecular Weight345.85 g/mol
Exact Mass345.14
IUPAC NameN-[2-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\c1ccccc1Cl)c1cc(F)ccc1NC1CCN(C)CC1
InChIInChI=1S/C19H21ClFN3/c1-24-10-8-14(9-11-24)23-18-7-6-13(21)12-16(18)19(22)15-4-2-3-5-17(15)20/h2-7,12,14,22-23H,8-11H2,1H3/b22-19+
InChIKeyMHPOBFCGJIOLQN-ZBJSNUHESA-N
XLogP4.40
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.40
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-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine (CID 13431733) is N-[2-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine is [H]/N=C(\c1ccccc1Cl)c1cc(F)ccc1NC1CCN(C)CC1.
What is the InChIKey of N-[2-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine?
The InChIKey is MHPOBFCGJIOLQN-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H21ClFN3/c1-24-10-8-14(9-11-24)23-18-7-6-13(21)12-16(18)19(22)15-4-2-3-5-17(15)20/h2-7,12,14,22-23H,8-11H2,1H3/b22-19+.
What are the key properties of N-[2-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine?
N-[2-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine has a molecular weight of 345.85 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorobenzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 13431733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).