cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol

C14H19FN2O — CID 20785609

IUPACcyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol
SMILESOC(c1ccc(F)c(N2CCNCC2)c1)C1CC1
InChIInChI=1S/C14H19FN2O/c15-12-4-3-11(14(18)10-1-2-10)9-13(12)17-7-5-16-6-8-17/h3-4,9-10,14,16,18H,1-2,5-8H2
InChIKeyCXBVTDWDEOYZHC-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.68
Rot. Bonds3

About cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol

cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol (PubChem CID 20785609) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol.

Molecular Properties

Compound Namecyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol
PubChem CID20785609
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Namecyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol
SMILESOC(c1ccc(F)c(N2CCNCC2)c1)C1CC1
InChIInChI=1S/C14H19FN2O/c15-12-4-3-11(14(18)10-1-2-10)9-13(12)17-7-5-16-6-8-17/h3-4,9-10,14,16,18H,1-2,5-8H2
InChIKeyCXBVTDWDEOYZHC-UHFFFAOYSA-N
XLogP1.68
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol?
The IUPAC name of cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol (CID 20785609) is cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol.
What is the SMILES notation for cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol?
The canonical SMILES for cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol is OC(c1ccc(F)c(N2CCNCC2)c1)C1CC1.
What is the InChIKey of cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol?
The InChIKey is CXBVTDWDEOYZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-12-4-3-11(14(18)10-1-2-10)9-13(12)17-7-5-16-6-8-17/h3-4,9-10,14,16,18H,1-2,5-8H2.
What are the key properties of cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol?
cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol has a molecular weight of 250.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol is sourced from PubChem (CID 20785609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).