1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol

C15H21FN2O — CID 117415617

IUPAC1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCN1CCN(c2ccc(CC3(O)CC3)cc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-17-6-8-18(9-7-17)14-3-2-12(10-13(14)16)11-15(19)4-5-15/h2-3,10,19H,4-9,11H2,1H3
InChIKeyJRIXGSIRYNRLIO-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.64
Rot. Bonds3

About 1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol

1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117415617) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117415617
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCN1CCN(c2ccc(CC3(O)CC3)cc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-17-6-8-18(9-7-17)14-3-2-12(10-13(14)16)11-15(19)4-5-15/h2-3,10,19H,4-9,11H2,1H3
InChIKeyJRIXGSIRYNRLIO-UHFFFAOYSA-N
XLogP1.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol (CID 117415617) is 1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol is CN1CCN(c2ccc(CC3(O)CC3)cc2F)CC1.
What is the InChIKey of 1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is JRIXGSIRYNRLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-17-6-8-18(9-7-17)14-3-2-12(10-13(14)16)11-15(19)4-5-15/h2-3,10,19H,4-9,11H2,1H3.
What are the key properties of 1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol?
1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 264.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117415617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).