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

C16H26N4 — CID 66656690

IUPAC3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
SMILESCN1CCN(C2CCN(c3cccc(N)c3)CC2)CC1
InChIInChI=1S/C16H26N4/c1-18-9-11-20(12-10-18)15-5-7-19(8-6-15)16-4-2-3-14(17)13-16/h2-4,13,15H,5-12,17H2,1H3
InChIKeyPQHKDELHAVTSLL-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.49
Rot. Bonds2

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

3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline (PubChem CID 66656690) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
PubChem CID66656690
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
SMILESCN1CCN(C2CCN(c3cccc(N)c3)CC2)CC1
InChIInChI=1S/C16H26N4/c1-18-9-11-20(12-10-18)15-5-7-19(8-6-15)16-4-2-3-14(17)13-16/h2-4,13,15H,5-12,17H2,1H3
InChIKeyPQHKDELHAVTSLL-UHFFFAOYSA-N
XLogP1.49
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline (CID 66656690) is 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline is CN1CCN(C2CCN(c3cccc(N)c3)CC2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline?
The InChIKey is PQHKDELHAVTSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-18-9-11-20(12-10-18)15-5-7-19(8-6-15)16-4-2-3-14(17)13-16/h2-4,13,15H,5-12,17H2,1H3.
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline?
3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline has a molecular weight of 274.41 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline is sourced from PubChem (CID 66656690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).