1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine

C19H35FIN5 — CID 140544462

IUPAC1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine
SMILESFC1CCC(C2NNCC2CN2CCN(C3CCC(I)CN3)CC2)CC1
InChIInChI=1S/C19H35FIN5/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,1-13H2
InChIKeyGVPXLDARDBBCRI-UHFFFAOYSA-N
MW479.43 g/mol
LogP1.74
Rot. Bonds4

About 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine

1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine (PubChem CID 140544462) has the molecular formula C19H35FIN5 and a molecular weight of 479.43 g/mol. Its IUPAC name is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine.

Molecular Properties

Compound Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine
PubChem CID140544462
Molecular FormulaC19H35FIN5
Molecular Weight479.43 g/mol
Exact Mass479.19
IUPAC Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine
SMILESFC1CCC(C2NNCC2CN2CCN(C3CCC(I)CN3)CC2)CC1
InChIInChI=1S/C19H35FIN5/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,1-13H2
InChIKeyGVPXLDARDBBCRI-UHFFFAOYSA-N
XLogP1.74
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine with MolForge

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

Launch Full Analysis

Related Compounds

6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid
CID 140544404
1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine
CID 140544450
1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine
CID 140544453
1-(3,4-dichlorocyclohexyl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine
CID 140544443
2-fluoro-5-[4-[[4-[5-(trifluoromethyl)piperidin-2-yl]piperazin-1-yl]methyl]pyrazolidin-3-yl]cyclohexane-1-carboxamide
CID 140544406
N-[[2-fluoro-5-[4-[[4-[5-(trifluoromethyl)piperidin-2-yl]piperazin-1-yl]methyl]pyrazolidin-3-yl]cyclohexyl]methyl]formamide
CID 140544458
4-chloro-5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]diazinan-3-one
CID 168818777
1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 75100634
1-(5-ethylpiperidin-2-yl)-4-methylpiperazine
CID 123136191
1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine
CID 82388905
3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine
CID 164657937
1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 63714384

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine?
The IUPAC name of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine (CID 140544462) is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine.
What is the SMILES notation for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine?
The canonical SMILES for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine is FC1CCC(C2NNCC2CN2CCN(C3CCC(I)CN3)CC2)CC1.
What is the InChIKey of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine?
The InChIKey is GVPXLDARDBBCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35FIN5/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,1-13H2.
What are the key properties of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine?
1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine has a molecular weight of 479.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine is sourced from PubChem (CID 140544462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).