4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline

C19H26N4 — CID 90905369

IUPAC4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline
SMILESCC(C)Cc1cccc(N2CCN(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C19H26N4/c1-15(2)14-17-4-3-5-19(21-17)23-12-10-22(11-13-23)18-8-6-16(20)7-9-18/h3-9,15H,10-14,20H2,1-2H3
InChIKeyYMPMMZDQPTVELO-UHFFFAOYSA-N
MW310.45 g/mol
LogP3.19
Rot. Bonds4

About 4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline

4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline (PubChem CID 90905369) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline.

Molecular Properties

Compound Name4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline
PubChem CID90905369
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline
SMILESCC(C)Cc1cccc(N2CCN(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C19H26N4/c1-15(2)14-17-4-3-5-19(21-17)23-12-10-22(11-13-23)18-8-6-16(20)7-9-18/h3-9,15H,10-14,20H2,1-2H3
InChIKeyYMPMMZDQPTVELO-UHFFFAOYSA-N
XLogP3.19
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline?
The IUPAC name of 4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline (CID 90905369) is 4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline.
What is the SMILES notation for 4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline?
The canonical SMILES for 4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline is CC(C)Cc1cccc(N2CCN(c3ccc(N)cc3)CC2)n1.
What is the InChIKey of 4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline?
The InChIKey is YMPMMZDQPTVELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-15(2)14-17-4-3-5-19(21-17)23-12-10-22(11-13-23)18-8-6-16(20)7-9-18/h3-9,15H,10-14,20H2,1-2H3.
What are the key properties of 4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline?
4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline has a molecular weight of 310.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline is sourced from PubChem (CID 90905369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).