cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol

C14H19FN2O — CID 134693722

IUPACcyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol
SMILESOC(C1CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11,14,18H,1-2,7-10H2
InChIKeyFSZKFICDMKJCBM-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.68
Rot. Bonds3

About cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol

cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol (PubChem CID 134693722) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol
PubChem CID134693722
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Namecyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol
SMILESOC(C1CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11,14,18H,1-2,7-10H2
InChIKeyFSZKFICDMKJCBM-UHFFFAOYSA-N
XLogP1.68
TPSA26.71 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol?
The IUPAC name of cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol (CID 134693722) is cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol.
What is the SMILES notation for cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol?
The canonical SMILES for cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol is OC(C1CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol?
The InChIKey is FSZKFICDMKJCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11,14,18H,1-2,7-10H2.
What are the key properties of cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol?
cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol has a molecular weight of 250.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanol is sourced from PubChem (CID 134693722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).