N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine

C15H20FN3O — CID 13319887

IUPACN-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine
SMILESFc1ccc2c(CCCNN3CCCCC3)noc2c1
InChIInChI=1S/C15H20FN3O/c16-12-6-7-13-14(18-20-15(13)11-12)5-4-8-17-19-9-2-1-3-10-19/h6-7,11,17H,1-5,8-10H2
InChIKeyVZVVMHNBZVLTJB-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.89
Rot. Bonds5

About N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine

N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine (PubChem CID 13319887) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine
PubChem CID13319887
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine
SMILESFc1ccc2c(CCCNN3CCCCC3)noc2c1
InChIInChI=1S/C15H20FN3O/c16-12-6-7-13-14(18-20-15(13)11-12)5-4-8-17-19-9-2-1-3-10-19/h6-7,11,17H,1-5,8-10H2
InChIKeyVZVVMHNBZVLTJB-UHFFFAOYSA-N
XLogP2.89
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine?
The IUPAC name of N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine (CID 13319887) is N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine.
What is the SMILES notation for N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine?
The canonical SMILES for N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine is Fc1ccc2c(CCCNN3CCCCC3)noc2c1.
What is the InChIKey of N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine?
The InChIKey is VZVVMHNBZVLTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-12-6-7-13-14(18-20-15(13)11-12)5-4-8-17-19-9-2-1-3-10-19/h6-7,11,17H,1-5,8-10H2.
What are the key properties of N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine?
N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine has a molecular weight of 277.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine is sourced from PubChem (CID 13319887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).