4-(4-piperidin-4-ylphenyl)aniline

C17H20N2 — CID 116988069

IUPAC4-(4-piperidin-4-ylphenyl)aniline
SMILESNc1ccc(-c2ccc(C3CCNCC3)cc2)cc1
InChIInChI=1S/C17H20N2/c18-17-7-5-15(6-8-17)13-1-3-14(4-2-13)16-9-11-19-12-10-16/h1-8,16,19H,9-12,18H2
InChIKeyOJFZJZDXHBMIQV-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.40
Rot. Bonds2

About 4-(4-piperidin-4-ylphenyl)aniline

4-(4-piperidin-4-ylphenyl)aniline (PubChem CID 116988069) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(4-piperidin-4-ylphenyl)aniline.

Molecular Properties

Compound Name4-(4-piperidin-4-ylphenyl)aniline
PubChem CID116988069
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name4-(4-piperidin-4-ylphenyl)aniline
SMILESNc1ccc(-c2ccc(C3CCNCC3)cc2)cc1
InChIInChI=1S/C17H20N2/c18-17-7-5-15(6-8-17)13-1-3-14(4-2-13)16-9-11-19-12-10-16/h1-8,16,19H,9-12,18H2
InChIKeyOJFZJZDXHBMIQV-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-4-ylphenyl)aniline?
The IUPAC name of 4-(4-piperidin-4-ylphenyl)aniline (CID 116988069) is 4-(4-piperidin-4-ylphenyl)aniline.
What is the SMILES notation for 4-(4-piperidin-4-ylphenyl)aniline?
The canonical SMILES for 4-(4-piperidin-4-ylphenyl)aniline is Nc1ccc(-c2ccc(C3CCNCC3)cc2)cc1.
What is the InChIKey of 4-(4-piperidin-4-ylphenyl)aniline?
The InChIKey is OJFZJZDXHBMIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-17-7-5-15(6-8-17)13-1-3-14(4-2-13)16-9-11-19-12-10-16/h1-8,16,19H,9-12,18H2.
What are the key properties of 4-(4-piperidin-4-ylphenyl)aniline?
4-(4-piperidin-4-ylphenyl)aniline has a molecular weight of 252.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-4-ylphenyl)aniline is sourced from PubChem (CID 116988069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).