[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone

C21H25FN4O — CID 57444943

IUPAC[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cccc(N2CCNCC2)n1)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN4O/c22-18-5-2-1-4-17(18)16-8-12-26(13-9-16)21(27)19-6-3-7-20(24-19)25-14-10-23-11-15-25/h1-7,16,23H,8-15H2
InChIKeyKIQSDRIRTUHRIO-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.65
Rot. Bonds3

About [4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone

[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone (PubChem CID 57444943) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone
PubChem CID57444943
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cccc(N2CCNCC2)n1)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN4O/c22-18-5-2-1-4-17(18)16-8-12-26(13-9-16)21(27)19-6-3-7-20(24-19)25-14-10-23-11-15-25/h1-7,16,23H,8-15H2
InChIKeyKIQSDRIRTUHRIO-UHFFFAOYSA-N
XLogP2.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone (CID 57444943) is [4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone is O=C(c1cccc(N2CCNCC2)n1)N1CCC(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone?
The InChIKey is KIQSDRIRTUHRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c22-18-5-2-1-4-17(18)16-8-12-26(13-9-16)21(27)19-6-3-7-20(24-19)25-14-10-23-11-15-25/h1-7,16,23H,8-15H2.
What are the key properties of [4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone?
[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone has a molecular weight of 368.46 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 57444943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).