6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol

C18H25FN2O2 — CID 18948930

IUPAC6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol
SMILESOCCCCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C18H25FN2O2/c19-15-5-6-16-17(13-15)23-20-18(16)14-7-10-21(11-8-14)9-3-1-2-4-12-22/h5-6,13-14,22H,1-4,7-12H2
InChIKeyVQKMCZNVRYZPOW-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.70
Rot. Bonds7

About 6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol

6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol (PubChem CID 18948930) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol
PubChem CID18948930
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol
SMILESOCCCCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C18H25FN2O2/c19-15-5-6-16-17(13-15)23-20-18(16)14-7-10-21(11-8-14)9-3-1-2-4-12-22/h5-6,13-14,22H,1-4,7-12H2
InChIKeyVQKMCZNVRYZPOW-UHFFFAOYSA-N
XLogP3.70
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol 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 6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol?
The IUPAC name of 6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol (CID 18948930) is 6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol.
What is the SMILES notation for 6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol?
The canonical SMILES for 6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol is OCCCCCCN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol?
The InChIKey is VQKMCZNVRYZPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c19-15-5-6-16-17(13-15)23-20-18(16)14-7-10-21(11-8-14)9-3-1-2-4-12-22/h5-6,13-14,22H,1-4,7-12H2.
What are the key properties of 6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol?
6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol has a molecular weight of 320.41 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexan-1-ol is sourced from PubChem (CID 18948930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).