4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine

C16H26N4 — CID 91408724

IUPAC4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine
SMILESCN1CCN(C2CCN(Nc3ccccc3)CC2)CC1
InChIInChI=1S/C16H26N4/c1-18-11-13-19(14-12-18)16-7-9-20(10-8-16)17-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3
InChIKeyXNPMZTHMXNASDW-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.73
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine

4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine (PubChem CID 91408724) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine
PubChem CID91408724
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine
SMILESCN1CCN(C2CCN(Nc3ccccc3)CC2)CC1
InChIInChI=1S/C16H26N4/c1-18-11-13-19(14-12-18)16-7-9-20(10-8-16)17-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3
InChIKeyXNPMZTHMXNASDW-UHFFFAOYSA-N
XLogP1.73
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine (CID 91408724) is 4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine is CN1CCN(C2CCN(Nc3ccccc3)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine?
The InChIKey is XNPMZTHMXNASDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-18-11-13-19(14-12-18)16-7-9-20(10-8-16)17-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine?
4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine has a molecular weight of 274.41 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine is sourced from PubChem (CID 91408724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).