[(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol

C17H20F2N4O — CID 164637421

IUPAC[(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol
SMILESOC[C@H]1CN(Cc2ccc(F)cn2)CCN1Cc1ccc(F)cn1
InChIInChI=1S/C17H20F2N4O/c18-13-1-3-15(20-7-13)9-22-5-6-23(17(11-22)12-24)10-16-4-2-14(19)8-21-16/h1-4,7-8,17,24H,5-6,9-12H2/t17-/m1/s1
InChIKeyHEQIYLWUOUYWRR-QGZVFWFLSA-N
MW334.37 g/mol
LogP1.43
Rot. Bonds5

About [(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol

[(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol (PubChem CID 164637421) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is [(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol
PubChem CID164637421
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name[(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol
SMILESOC[C@H]1CN(Cc2ccc(F)cn2)CCN1Cc1ccc(F)cn1
InChIInChI=1S/C17H20F2N4O/c18-13-1-3-15(20-7-13)9-22-5-6-23(17(11-22)12-24)10-16-4-2-14(19)8-21-16/h1-4,7-8,17,24H,5-6,9-12H2/t17-/m1/s1
InChIKeyHEQIYLWUOUYWRR-QGZVFWFLSA-N
XLogP1.43
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol?
The IUPAC name of [(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol (CID 164637421) is [(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol.
What is the SMILES notation for [(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol?
The canonical SMILES for [(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol is OC[C@H]1CN(Cc2ccc(F)cn2)CCN1Cc1ccc(F)cn1.
What is the InChIKey of [(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol?
The InChIKey is HEQIYLWUOUYWRR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20F2N4O/c18-13-1-3-15(20-7-13)9-22-5-6-23(17(11-22)12-24)10-16-4-2-14(19)8-21-16/h1-4,7-8,17,24H,5-6,9-12H2/t17-/m1/s1.
What are the key properties of [(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol?
[(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol has a molecular weight of 334.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol is sourced from PubChem (CID 164637421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).