6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine

C19H37FN6 — CID 140544451

IUPAC6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine
SMILESNC1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)NC1
InChIInChI=1S/C19H37FN6/c20-16-3-1-14(2-4-16)19-15(11-23-24-19)13-25-7-9-26(10-8-25)18-6-5-17(21)12-22-18/h14-19,22-24H,1-13,21H2
InChIKeyHGUIKGSJIUZXCX-UHFFFAOYSA-N
MW368.55 g/mol
LogP0.26
Rot. Bonds4

About 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine

6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine (PubChem CID 140544451) has the molecular formula C19H37FN6 and a molecular weight of 368.55 g/mol. Its IUPAC name is 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine.

Molecular Properties

Compound Name6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine
PubChem CID140544451
Molecular FormulaC19H37FN6
Molecular Weight368.55 g/mol
Exact Mass368.31
IUPAC Name6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine
SMILESNC1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)NC1
InChIInChI=1S/C19H37FN6/c20-16-3-1-14(2-4-16)19-15(11-23-24-19)13-25-7-9-26(10-8-25)18-6-5-17(21)12-22-18/h14-19,22-24H,1-13,21H2
InChIKeyHGUIKGSJIUZXCX-UHFFFAOYSA-N
XLogP0.26
TPSA68.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine?
The IUPAC name of 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine (CID 140544451) is 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine.
What is the SMILES notation for 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine?
The canonical SMILES for 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine is NC1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)NC1.
What is the InChIKey of 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine?
The InChIKey is HGUIKGSJIUZXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FN6/c20-16-3-1-14(2-4-16)19-15(11-23-24-19)13-25-7-9-26(10-8-25)18-6-5-17(21)12-22-18/h14-19,22-24H,1-13,21H2.
What are the key properties of 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine?
6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine has a molecular weight of 368.55 g/mol, XLogP of 0.26, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidin-3-amine is sourced from PubChem (CID 140544451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).