1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine

C20H38FN5 — CID 170013287

IUPAC1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCN(C)CC2C2CC(N3CC(F)C3)CCN2C)CC1
InChIInChI=1S/C20H38FN5/c1-22-8-10-25(11-9-22)19-5-6-23(2)15-18(19)20-12-17(4-7-24(20)3)26-13-16(21)14-26/h16-20H,4-15H2,1-3H3
InChIKeyHJNNQZOLEWBLRG-UHFFFAOYSA-N
MW367.56 g/mol
LogP0.67
Rot. Bonds3

About 1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine

1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine (PubChem CID 170013287) has the molecular formula C20H38FN5 and a molecular weight of 367.56 g/mol. Its IUPAC name is 1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine
PubChem CID170013287
Molecular FormulaC20H38FN5
Molecular Weight367.56 g/mol
Exact Mass367.31
IUPAC Name1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCN(C)CC2C2CC(N3CC(F)C3)CCN2C)CC1
InChIInChI=1S/C20H38FN5/c1-22-8-10-25(11-9-22)19-5-6-23(2)15-18(19)20-12-17(4-7-24(20)3)26-13-16(21)14-26/h16-20H,4-15H2,1-3H3
InChIKeyHJNNQZOLEWBLRG-UHFFFAOYSA-N
XLogP0.67
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine (CID 170013287) is 1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine is CN1CCN(C2CCN(C)CC2C2CC(N3CC(F)C3)CCN2C)CC1.
What is the InChIKey of 1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine?
The InChIKey is HJNNQZOLEWBLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38FN5/c1-22-8-10-25(11-9-22)19-5-6-23(2)15-18(19)20-12-17(4-7-24(20)3)26-13-16(21)14-26/h16-20H,4-15H2,1-3H3.
What are the key properties of 1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine?
1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine has a molecular weight of 367.56 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine is sourced from PubChem (CID 170013287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).