3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde

C17H20F2N4O2 — CID 68535270

IUPAC3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde
SMILESC=O.Cc1cc(N)cnc1N1CCN(c2ccc(F)c(O)c2F)CC1
InChIInChI=1S/C16H18F2N4O.CH2O/c1-10-8-11(19)9-20-16(10)22-6-4-21(5-7-22)13-3-2-12(17)15(23)14(13)18;1-2/h2-3,8-9,23H,4-7,19H2,1H3;1H2
InChIKeyZPLCQPWPJLNUAO-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.10
Rot. Bonds2

About 3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde

3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde (PubChem CID 68535270) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde.

Molecular Properties

Compound Name3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde
PubChem CID68535270
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde
SMILESC=O.Cc1cc(N)cnc1N1CCN(c2ccc(F)c(O)c2F)CC1
InChIInChI=1S/C16H18F2N4O.CH2O/c1-10-8-11(19)9-20-16(10)22-6-4-21(5-7-22)13-3-2-12(17)15(23)14(13)18;1-2/h2-3,8-9,23H,4-7,19H2,1H3;1H2
InChIKeyZPLCQPWPJLNUAO-UHFFFAOYSA-N
XLogP2.10
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde?
The IUPAC name of 3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde (CID 68535270) is 3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde.
What is the SMILES notation for 3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde?
The canonical SMILES for 3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde is C=O.Cc1cc(N)cnc1N1CCN(c2ccc(F)c(O)c2F)CC1.
What is the InChIKey of 3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde?
The InChIKey is ZPLCQPWPJLNUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O.CH2O/c1-10-8-11(19)9-20-16(10)22-6-4-21(5-7-22)13-3-2-12(17)15(23)14(13)18;1-2/h2-3,8-9,23H,4-7,19H2,1H3;1H2.
What are the key properties of 3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde?
3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde has a molecular weight of 350.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde is sourced from PubChem (CID 68535270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).