2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol

C17H27FN4O — CID 89218164

IUPAC2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol
SMILESNc1ccc(N2CCN(C3CCN(CCF)CC3)CC2)cc1O
InChIInChI=1S/C17H27FN4O/c18-5-8-20-6-3-14(4-7-20)21-9-11-22(12-10-21)15-1-2-16(19)17(23)13-15/h1-2,13-14,23H,3-12,19H2
InChIKeyGBCBPZWPUYPILN-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.53
Rot. Bonds4

About 2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol

2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol (PubChem CID 89218164) has the molecular formula C17H27FN4O and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol
PubChem CID89218164
Molecular FormulaC17H27FN4O
Molecular Weight322.43 g/mol
Exact Mass322.22
IUPAC Name2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol
SMILESNc1ccc(N2CCN(C3CCN(CCF)CC3)CC2)cc1O
InChIInChI=1S/C17H27FN4O/c18-5-8-20-6-3-14(4-7-20)21-9-11-22(12-10-21)15-1-2-16(19)17(23)13-15/h1-2,13-14,23H,3-12,19H2
InChIKeyGBCBPZWPUYPILN-UHFFFAOYSA-N
XLogP1.53
TPSA55.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol?
The IUPAC name of 2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol (CID 89218164) is 2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol?
The canonical SMILES for 2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol is Nc1ccc(N2CCN(C3CCN(CCF)CC3)CC2)cc1O.
What is the InChIKey of 2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol?
The InChIKey is GBCBPZWPUYPILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4O/c18-5-8-20-6-3-14(4-7-20)21-9-11-22(12-10-21)15-1-2-16(19)17(23)13-15/h1-2,13-14,23H,3-12,19H2.
What are the key properties of 2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol?
2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol has a molecular weight of 322.43 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperazin-1-yl]phenol is sourced from PubChem (CID 89218164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).