2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine

C24H29FN6 — CID 45206430

IUPAC2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
SMILESFc1ccccc1N1CCN(C2CCCN(Cc3cccn3-c3ncccn3)C2)CC1
InChIInChI=1S/C24H29FN6/c25-22-8-1-2-9-23(22)30-16-14-29(15-17-30)20-6-3-12-28(18-20)19-21-7-4-13-31(21)24-26-10-5-11-27-24/h1-2,4-5,7-11,13,20H,3,6,12,14-19H2
InChIKeyMKCXSDICNCIYER-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.19
Rot. Bonds5

About 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine

2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine (PubChem CID 45206430) has the molecular formula C24H29FN6 and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
PubChem CID45206430
Molecular FormulaC24H29FN6
Molecular Weight420.54 g/mol
Exact Mass420.24
IUPAC Name2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
SMILESFc1ccccc1N1CCN(C2CCCN(Cc3cccn3-c3ncccn3)C2)CC1
InChIInChI=1S/C24H29FN6/c25-22-8-1-2-9-23(22)30-16-14-29(15-17-30)20-6-3-12-28(18-20)19-21-7-4-13-31(21)24-26-10-5-11-27-24/h1-2,4-5,7-11,13,20H,3,6,12,14-19H2
InChIKeyMKCXSDICNCIYER-UHFFFAOYSA-N
XLogP3.19
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine with MolForge

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Related Compounds

2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole
CID 56718757
2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 45201583
1-(2-methylphenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 45199090
1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 45195712
1-phenyl-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 29025981
1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine
CID 92689876
4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol
CID 51636098
1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine
CID 51635907
2-[[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 31048886
1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine
CID 3326668
N-(4-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45227733
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-(2-fluorophenyl)piperazine
CID 45199577

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine?
The IUPAC name of 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine (CID 45206430) is 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine.
What is the SMILES notation for 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine?
The canonical SMILES for 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine is Fc1ccccc1N1CCN(C2CCCN(Cc3cccn3-c3ncccn3)C2)CC1.
What is the InChIKey of 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine?
The InChIKey is MKCXSDICNCIYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6/c25-22-8-1-2-9-23(22)30-16-14-29(15-17-30)20-6-3-12-28(18-20)19-21-7-4-13-31(21)24-26-10-5-11-27-24/h1-2,4-5,7-11,13,20H,3,6,12,14-19H2.
What are the key properties of 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine?
2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine has a molecular weight of 420.54 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine is sourced from PubChem (CID 45206430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).