[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol

C16H23FN2O — CID 62369446

IUPAC[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol
SMILESOCc1ccc(N2CCN(C3CCCC3)CC2)c(F)c1
InChIInChI=1S/C16H23FN2O/c17-15-11-13(12-20)5-6-16(15)19-9-7-18(8-10-19)14-3-1-2-4-14/h5-6,11,14,20H,1-4,7-10,12H2
InChIKeyBYASFSFEDDZYSF-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.38
Rot. Bonds3

About [4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol

[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol (PubChem CID 62369446) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is [4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol
PubChem CID62369446
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol
SMILESOCc1ccc(N2CCN(C3CCCC3)CC2)c(F)c1
InChIInChI=1S/C16H23FN2O/c17-15-11-13(12-20)5-6-16(15)19-9-7-18(8-10-19)14-3-1-2-4-14/h5-6,11,14,20H,1-4,7-10,12H2
InChIKeyBYASFSFEDDZYSF-UHFFFAOYSA-N
XLogP2.38
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol?
The IUPAC name of [4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol (CID 62369446) is [4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol is OCc1ccc(N2CCN(C3CCCC3)CC2)c(F)c1.
What is the InChIKey of [4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol?
The InChIKey is BYASFSFEDDZYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c17-15-11-13(12-20)5-6-16(15)19-9-7-18(8-10-19)14-3-1-2-4-14/h5-6,11,14,20H,1-4,7-10,12H2.
What are the key properties of [4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol?
[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol has a molecular weight of 278.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol is sourced from PubChem (CID 62369446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).