[5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol

C14H21FN4O — CID 118162483

IUPAC[5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol
SMILESCN1CCN(C2CN(c3nc(CO)ccc3F)C2)CC1
InChIInChI=1S/C14H21FN4O/c1-17-4-6-18(7-5-17)12-8-19(9-12)14-13(15)3-2-11(10-20)16-14/h2-3,12,20H,4-10H2,1H3
InChIKeyBUINCOLVMPYCMN-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.15
Rot. Bonds3

About [5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol

[5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol (PubChem CID 118162483) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is [5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol
PubChem CID118162483
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name[5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol
SMILESCN1CCN(C2CN(c3nc(CO)ccc3F)C2)CC1
InChIInChI=1S/C14H21FN4O/c1-17-4-6-18(7-5-17)12-8-19(9-12)14-13(15)3-2-11(10-20)16-14/h2-3,12,20H,4-10H2,1H3
InChIKeyBUINCOLVMPYCMN-UHFFFAOYSA-N
XLogP0.15
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol (CID 118162483) is [5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol is CN1CCN(C2CN(c3nc(CO)ccc3F)C2)CC1.
What is the InChIKey of [5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol?
The InChIKey is BUINCOLVMPYCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-17-4-6-18(7-5-17)12-8-19(9-12)14-13(15)3-2-11(10-20)16-14/h2-3,12,20H,4-10H2,1H3.
What are the key properties of [5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol?
[5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol has a molecular weight of 280.35 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118162483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).