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

C16H21FN2O2 — CID 15391753

IUPAC(2S)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropan-1-ol
SMILESC[C@H](CO)CN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C16H21FN2O2/c1-11(10-20)9-19-6-4-12(5-7-19)16-14-3-2-13(17)8-15(14)21-18-16/h2-3,8,11-12,20H,4-7,9-10H2,1H3/t11-/m0/s1
InChIKeyUCRGSQLLVZQYCW-NSHDSACASA-N
MW292.35 g/mol
LogP2.77
Rot. Bonds4

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

(2S)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropan-1-ol (PubChem CID 15391753) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (2S)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropan-1-ol
PubChem CID15391753
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(2S)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropan-1-ol
SMILESC[C@H](CO)CN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C16H21FN2O2/c1-11(10-20)9-19-6-4-12(5-7-19)16-14-3-2-13(17)8-15(14)21-18-16/h2-3,8,11-12,20H,4-7,9-10H2,1H3/t11-/m0/s1
InChIKeyUCRGSQLLVZQYCW-NSHDSACASA-N
XLogP2.77
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropan-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 (2S)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropan-1-ol?
The IUPAC name of (2S)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropan-1-ol (CID 15391753) is (2S)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for (2S)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for (2S)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropan-1-ol is C[C@H](CO)CN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of (2S)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropan-1-ol?
The InChIKey is UCRGSQLLVZQYCW-NSHDSACASA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(10-20)9-19-6-4-12(5-7-19)16-14-3-2-13(17)8-15(14)21-18-16/h2-3,8,11-12,20H,4-7,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropan-1-ol?
(2S)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropan-1-ol has a molecular weight of 292.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 15391753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).