1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine

C25H30FN5 — CID 45195712

IUPAC1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
SMILESFc1ccc(N2CCN(C3CCCN(Cc4cccn4-c4ccccn4)C3)CC2)cc1
InChIInChI=1S/C25H30FN5/c26-21-8-10-22(11-9-21)29-15-17-30(18-16-29)23-5-3-13-28(19-23)20-24-6-4-14-31(24)25-7-1-2-12-27-25/h1-2,4,6-12,14,23H,3,5,13,15-20H2
InChIKeyJPDFREOYTHRQSN-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.80
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine

1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine (PubChem CID 45195712) has the molecular formula C25H30FN5 and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
PubChem CID45195712
Molecular FormulaC25H30FN5
Molecular Weight419.55 g/mol
Exact Mass419.25
IUPAC Name1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
SMILESFc1ccc(N2CCN(C3CCCN(Cc4cccn4-c4ccccn4)C3)CC2)cc1
InChIInChI=1S/C25H30FN5/c26-21-8-10-22(11-9-21)29-15-17-30(18-16-29)23-5-3-13-28(19-23)20-24-6-4-14-31(24)25-7-1-2-12-27-25/h1-2,4,6-12,14,23H,3,5,13,15-20H2
InChIKeyJPDFREOYTHRQSN-UHFFFAOYSA-N
XLogP3.80
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-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

1-phenyl-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 29025981
1-(2-methylphenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 45199090
2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 45201583
2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 45206430
N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45244125
2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole
CID 56718757
[1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 45243962
1-(4-methoxyphenyl)-4-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazine
CID 30674071
(9aS)-2-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 50965676
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 24790572
1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine
CID 45167770
N-(4-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45227733

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine (CID 45195712) is 1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine is Fc1ccc(N2CCN(C3CCCN(Cc4cccn4-c4ccccn4)C3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine?
The InChIKey is JPDFREOYTHRQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5/c26-21-8-10-22(11-9-21)29-15-17-30(18-16-29)23-5-3-13-28(19-23)20-24-6-4-14-31(24)25-7-1-2-12-27-25/h1-2,4,6-12,14,23H,3,5,13,15-20H2.
What are the key properties of 1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine?
1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine has a molecular weight of 419.55 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine is sourced from PubChem (CID 45195712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).