4-[1-(4-aminophenyl)piperidin-3-yl]aniline

C17H21N3 — CID 151992764

IUPAC4-[1-(4-aminophenyl)piperidin-3-yl]aniline
SMILESNc1ccc(C2CCCN(c3ccc(N)cc3)C2)cc1
InChIInChI=1S/C17H21N3/c18-15-5-3-13(4-6-15)14-2-1-11-20(12-14)17-9-7-16(19)8-10-17/h3-10,14H,1-2,11-12,18-19H2
InChIKeyUFAJUFHYHBQQOC-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.23
Rot. Bonds2

About 4-[1-(4-aminophenyl)piperidin-3-yl]aniline

4-[1-(4-aminophenyl)piperidin-3-yl]aniline (PubChem CID 151992764) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-[1-(4-aminophenyl)piperidin-3-yl]aniline.

Molecular Properties

Compound Name4-[1-(4-aminophenyl)piperidin-3-yl]aniline
PubChem CID151992764
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-[1-(4-aminophenyl)piperidin-3-yl]aniline
SMILESNc1ccc(C2CCCN(c3ccc(N)cc3)C2)cc1
InChIInChI=1S/C17H21N3/c18-15-5-3-13(4-6-15)14-2-1-11-20(12-14)17-9-7-16(19)8-10-17/h3-10,14H,1-2,11-12,18-19H2
InChIKeyUFAJUFHYHBQQOC-UHFFFAOYSA-N
XLogP3.23
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenyl)piperidin-3-yl]aniline?
The IUPAC name of 4-[1-(4-aminophenyl)piperidin-3-yl]aniline (CID 151992764) is 4-[1-(4-aminophenyl)piperidin-3-yl]aniline.
What is the SMILES notation for 4-[1-(4-aminophenyl)piperidin-3-yl]aniline?
The canonical SMILES for 4-[1-(4-aminophenyl)piperidin-3-yl]aniline is Nc1ccc(C2CCCN(c3ccc(N)cc3)C2)cc1.
What is the InChIKey of 4-[1-(4-aminophenyl)piperidin-3-yl]aniline?
The InChIKey is UFAJUFHYHBQQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c18-15-5-3-13(4-6-15)14-2-1-11-20(12-14)17-9-7-16(19)8-10-17/h3-10,14H,1-2,11-12,18-19H2.
What are the key properties of 4-[1-(4-aminophenyl)piperidin-3-yl]aniline?
4-[1-(4-aminophenyl)piperidin-3-yl]aniline has a molecular weight of 267.38 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenyl)piperidin-3-yl]aniline is sourced from PubChem (CID 151992764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).