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

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Related Compounds

4-[1-(cyclohexylmethyl)pyrazolidin-4-yl]-2-N-[(1S)-1-(4-fluorocyclohexyl)ethyl]-6-N-piperazin-2-ylpiperidine-2,6-diamine
CID 89952061
1-[[3-(4-Fluorocyclohexyl)pyrazolidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)piperidin-2-yl]piperazine
CID 140544405
1-(3-Chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine
CID 140544408
6-[4-[[3-(4-Fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxamide
CID 140544409
1-[[3-(4-Fluorocyclohexyl)pyrazolidin-4-yl]methyl]-2-methyl-4-[5-(trifluoromethyl)piperidin-2-yl]piperazine
CID 140544410
1-[[3-(4-Fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine
CID 140544412
1-(5-Chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine
CID 140544416
1-[[3-(4-Fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-methylpiperidin-2-yl)piperazine
CID 140544418
2-[4-[[3-(4-Fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-4-carbonitrile
CID 140544421
4-[[3-(4-Fluorocyclohexyl)pyrazolidin-4-yl]methyl]-2-methyl-1-[5-(trifluoromethyl)piperidin-2-yl]piperazine
CID 140544423
1-[[3-(4-Fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperidin-2-ylpiperazine
CID 140544428
1-[[3-(4-Fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-nitropiperidin-2-yl)piperazine
CID 140544429

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).