1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine

C22H28N2 — CID 75418740

IUPAC1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine
SMILESc1ccc(C2(NCc3ccc(N4CCCCC4)cc3)CCC2)cc1
InChIInChI=1S/C22H28N2/c1-3-8-20(9-4-1)22(14-7-15-22)23-18-19-10-12-21(13-11-19)24-16-5-2-6-17-24/h1,3-4,8-13,23H,2,5-7,14-18H2
InChIKeyOPVPVNUVIQOEQG-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.85
Rot. Bonds5

About 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine

1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine (PubChem CID 75418740) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine
PubChem CID75418740
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine
SMILESc1ccc(C2(NCc3ccc(N4CCCCC4)cc3)CCC2)cc1
InChIInChI=1S/C22H28N2/c1-3-8-20(9-4-1)22(14-7-15-22)23-18-19-10-12-21(13-11-19)24-16-5-2-6-17-24/h1,3-4,8-13,23H,2,5-7,14-18H2
InChIKeyOPVPVNUVIQOEQG-UHFFFAOYSA-N
XLogP4.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine (CID 75418740) is 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine is c1ccc(C2(NCc3ccc(N4CCCCC4)cc3)CCC2)cc1.
What is the InChIKey of 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is OPVPVNUVIQOEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-3-8-20(9-4-1)22(14-7-15-22)23-18-19-10-12-21(13-11-19)24-16-5-2-6-17-24/h1,3-4,8-13,23H,2,5-7,14-18H2.
What are the key properties of 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine?
1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 320.48 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 75418740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).