4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine

C20H28FN3O — CID 25206209

IUPAC4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCC(c3noc4cc(F)ccc34)CC2)CC1
InChIInChI=1S/C20H28FN3O/c21-16-3-6-18-19(13-16)25-23-20(18)15-8-11-24(12-9-15)10-7-14-1-4-17(22)5-2-14/h3,6,13-15,17H,1-2,4-5,7-12,22H2
InChIKeySLUFMCHBIHYXTE-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.05
Rot. Bonds4

About 4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine

4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 25206209) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine
PubChem CID25206209
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Name4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCC(c3noc4cc(F)ccc34)CC2)CC1
InChIInChI=1S/C20H28FN3O/c21-16-3-6-18-19(13-16)25-23-20(18)15-8-11-24(12-9-15)10-7-14-1-4-17(22)5-2-14/h3,6,13-15,17H,1-2,4-5,7-12,22H2
InChIKeySLUFMCHBIHYXTE-UHFFFAOYSA-N
XLogP4.05
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine (CID 25206209) is 4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine is NC1CCC(CCN2CCC(c3noc4cc(F)ccc34)CC2)CC1.
What is the InChIKey of 4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is SLUFMCHBIHYXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O/c21-16-3-6-18-19(13-16)25-23-20(18)15-8-11-24(12-9-15)10-7-14-1-4-17(22)5-2-14/h3,6,13-15,17H,1-2,4-5,7-12,22H2.
What are the key properties of 4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine?
4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 345.46 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 25206209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).