[2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol

C14H16FN5O — CID 136531931

IUPAC[2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol
SMILESOCc1ccnc(N2CCN(c3ncccc3F)CC2)n1
InChIInChI=1S/C14H16FN5O/c15-12-2-1-4-16-13(12)19-6-8-20(9-7-19)14-17-5-3-11(10-21)18-14/h1-5,21H,6-10H2
InChIKeyMNSHNZQMCZTNAR-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.83
Rot. Bonds3

About [2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol

[2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol (PubChem CID 136531931) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is [2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol
PubChem CID136531931
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name[2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol
SMILESOCc1ccnc(N2CCN(c3ncccc3F)CC2)n1
InChIInChI=1S/C14H16FN5O/c15-12-2-1-4-16-13(12)19-6-8-20(9-7-19)14-17-5-3-11(10-21)18-14/h1-5,21H,6-10H2
InChIKeyMNSHNZQMCZTNAR-UHFFFAOYSA-N
XLogP0.83
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol (CID 136531931) is [2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol is OCc1ccnc(N2CCN(c3ncccc3F)CC2)n1.
What is the InChIKey of [2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol?
The InChIKey is MNSHNZQMCZTNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c15-12-2-1-4-16-13(12)19-6-8-20(9-7-19)14-17-5-3-11(10-21)18-14/h1-5,21H,6-10H2.
What are the key properties of [2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol?
[2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol has a molecular weight of 289.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol is sourced from PubChem (CID 136531931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).