1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium

C22H30FN3+2 — CID 7403675

IUPAC1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
SMILESFc1cccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1
InChIInChI=1S/C22H28FN3/c23-20-6-4-5-19(17-20)18-24-11-9-22(10-12-24)26-15-13-25(14-16-26)21-7-2-1-3-8-21/h1-8,17,22H,9-16,18H2/p+2
InChIKeyLBKHDUOMTXIYGA-UHFFFAOYSA-P
MW355.50 g/mol
LogP0.78
Rot. Bonds4

About 1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium

1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium (PubChem CID 7403675) has the molecular formula C22H30FN3+2 and a molecular weight of 355.50 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
PubChem CID7403675
Molecular FormulaC22H30FN3+2
Molecular Weight355.50 g/mol
Exact Mass355.24
IUPAC Name1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
SMILESFc1cccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1
InChIInChI=1S/C22H28FN3/c23-20-6-4-5-19(17-20)18-24-11-9-22(10-12-24)26-15-13-25(14-16-26)21-7-2-1-3-8-21/h1-8,17,22H,9-16,18H2/p+2
InChIKeyLBKHDUOMTXIYGA-UHFFFAOYSA-P
XLogP0.78
TPSA12.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium 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

1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-fluorophenyl)piperazin-1-ium
CID 6962721
1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 7325686
1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium
CID 2173520
2-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenol
CID 8528521
1-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)piperazin-1-ium
CID 6939553
1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium
CID 6942759
1-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-methylphenyl)methyl]piperazine-1,4-diium
CID 6982157
1-(4-fluorophenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium
CID 6939110
N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide
CID 7550967
1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium
CID 6939415
2-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole
CID 9336654
1-(1-benzylsulfonylpiperidin-4-yl)-4-phenylpiperazin-1-ium
CID 7325650

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium (CID 7403675) is 1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium is Fc1cccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium?
The InChIKey is LBKHDUOMTXIYGA-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H28FN3/c23-20-6-4-5-19(17-20)18-24-11-9-22(10-12-24)26-15-13-25(14-16-26)21-7-2-1-3-8-21/h1-8,17,22H,9-16,18H2/p+2.
What are the key properties of 1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium?
1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium has a molecular weight of 355.50 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium is sourced from PubChem (CID 7403675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).