N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine

C19H23N3O2 — CID 12741863

IUPACN-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine
SMILESO=[N+]([O-])c1ccc(NC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3O2/c23-22(24)19-8-6-17(7-9-19)20-18-11-14-21(15-12-18)13-10-16-4-2-1-3-5-16/h1-9,18,20H,10-15H2
InChIKeyOAGMBDGKWIITRA-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.71
Rot. Bonds6

About N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine

N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 12741863) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine
PubChem CID12741863
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine
SMILESO=[N+]([O-])c1ccc(NC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3O2/c23-22(24)19-8-6-17(7-9-19)20-18-11-14-21(15-12-18)13-10-16-4-2-1-3-5-16/h1-9,18,20H,10-15H2
InChIKeyOAGMBDGKWIITRA-UHFFFAOYSA-N
XLogP3.71
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine (CID 12741863) is N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine is O=[N+]([O-])c1ccc(NC2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is OAGMBDGKWIITRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-22(24)19-8-6-17(7-9-19)20-18-11-14-21(15-12-18)13-10-16-4-2-1-3-5-16/h1-9,18,20H,10-15H2.
What are the key properties of N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine?
N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 325.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 12741863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).