1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine

C20H26FN5 — CID 133279611

IUPAC1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine
SMILESFc1cccc(N2CCCC(CN3CCN(c4ccccn4)CC3)C2)n1
InChIInChI=1S/C20H26FN5/c21-18-6-3-8-20(23-18)26-10-4-5-17(16-26)15-24-11-13-25(14-12-24)19-7-1-2-9-22-19/h1-3,6-9,17H,4-5,10-16H2
InChIKeyPNLQYRVCRYZKCX-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.65
Rot. Bonds4

About 1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine

1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine (PubChem CID 133279611) has the molecular formula C20H26FN5 and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine
PubChem CID133279611
Molecular FormulaC20H26FN5
Molecular Weight355.46 g/mol
Exact Mass355.22
IUPAC Name1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine
SMILESFc1cccc(N2CCCC(CN3CCN(c4ccccn4)CC3)C2)n1
InChIInChI=1S/C20H26FN5/c21-18-6-3-8-20(23-18)26-10-4-5-17(16-26)15-24-11-13-25(14-12-24)19-7-1-2-9-22-19/h1-3,6-9,17H,4-5,10-16H2
InChIKeyPNLQYRVCRYZKCX-UHFFFAOYSA-N
XLogP2.65
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(Trifluoromethyl)phenyl]-N-[1-[5-(Trifluoromethyl)pyridin-2-Yl]piperidin-4-Yl]pyridin-3-Amine
CID 71720883
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
1-(3-Fluoro-2-pyridinyl)piperazine
CID 134987
1,6-Bis(4-(pyridin-2-yl)piperazin-1-yl)hexane
CID 11524350
1-(3-Fluoropyridin-2-yl)-4-methylpiperazine
CID 13298530
11-Ethyldipyrido[2,3-b:3',2'-f]azepine
CID 470619
1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735
1-(3-Phenyl-cyclohex-3-enylmethyl)-4-pyridin-2-yl-piperazine
CID 9797733
1-Methyl-4-(pyridin-2-yl)piperazine
CID 14954817
s-Triazine, 2-amino-4-piperidino-6-(3-pyridyl)-
CID 207459
1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyridin-2-yl-piperazine
CID 10904165
1-Benzyl-4-(3-(trifluoromethyl)-pyridin-2-yl)piperazine
CID 44237013

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine (CID 133279611) is 1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine is Fc1cccc(N2CCCC(CN3CCN(c4ccccn4)CC3)C2)n1.
What is the InChIKey of 1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is PNLQYRVCRYZKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5/c21-18-6-3-8-20(23-18)26-10-4-5-17(16-26)15-24-11-13-25(14-12-24)19-7-1-2-9-22-19/h1-3,6-9,17H,4-5,10-16H2.
What are the key properties of 1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine?
1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 355.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(6-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 133279611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).