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'}

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

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

Launch Full Analysis

Related Compounds

3-[3-(azepan-1-yl)propyl]-6-fluoro-1,2-benzoxazole
CID 13319879
8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 13319889
(6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
CID 126797029
6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole
CID 70409797
3-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-fluoro-1,2-benzoxazole
CID 171704882
6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171996239
N-[3-[[3-(6-fluoro-1,2-benzoxazol-3-yl)propylamino]methyl]phenyl]naphthalene-1-sulfonamide
CID 71737938
N-[[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 71151725
N-(4-chloro-1-benzothiophen-3-yl)-N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyridin-4-amine
CID 19360176
3-[3-[3-[(3,4-dimethylphenyl)sulfonylmethyl]pyrrolidin-1-yl]propyl]-6-fluoro-1,2-benzoxazole;hydrochloride
CID 166634636
6-(18F)fluoro-3-methyl-1,2-benzoxazole
CID 129087270
6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole
CID 130221894

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).