4-(4-pyridin-4-ylpiperidin-1-yl)aniline

C16H19N3 — CID 11021416

IUPAC4-(4-pyridin-4-ylpiperidin-1-yl)aniline
SMILESNc1ccc(N2CCC(c3ccncc3)CC2)cc1
InChIInChI=1S/C16H19N3/c17-15-1-3-16(4-2-15)19-11-7-14(8-12-19)13-5-9-18-10-6-13/h1-6,9-10,14H,7-8,11-12,17H2
InChIKeyKBVOTQBQJPEDFM-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.05
Rot. Bonds2

About 4-(4-pyridin-4-ylpiperidin-1-yl)aniline

4-(4-pyridin-4-ylpiperidin-1-yl)aniline (PubChem CID 11021416) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(4-pyridin-4-ylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name4-(4-pyridin-4-ylpiperidin-1-yl)aniline
PubChem CID11021416
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-(4-pyridin-4-ylpiperidin-1-yl)aniline
SMILESNc1ccc(N2CCC(c3ccncc3)CC2)cc1
InChIInChI=1S/C16H19N3/c17-15-1-3-16(4-2-15)19-11-7-14(8-12-19)13-5-9-18-10-6-13/h1-6,9-10,14H,7-8,11-12,17H2
InChIKeyKBVOTQBQJPEDFM-UHFFFAOYSA-N
XLogP3.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
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-(4-pyridin-4-ylpiperidin-1-yl)aniline?
The IUPAC name of 4-(4-pyridin-4-ylpiperidin-1-yl)aniline (CID 11021416) is 4-(4-pyridin-4-ylpiperidin-1-yl)aniline.
What is the SMILES notation for 4-(4-pyridin-4-ylpiperidin-1-yl)aniline?
The canonical SMILES for 4-(4-pyridin-4-ylpiperidin-1-yl)aniline is Nc1ccc(N2CCC(c3ccncc3)CC2)cc1.
What is the InChIKey of 4-(4-pyridin-4-ylpiperidin-1-yl)aniline?
The InChIKey is KBVOTQBQJPEDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-15-1-3-16(4-2-15)19-11-7-14(8-12-19)13-5-9-18-10-6-13/h1-6,9-10,14H,7-8,11-12,17H2.
What are the key properties of 4-(4-pyridin-4-ylpiperidin-1-yl)aniline?
4-(4-pyridin-4-ylpiperidin-1-yl)aniline has a molecular weight of 253.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-4-ylpiperidin-1-yl)aniline is sourced from PubChem (CID 11021416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).