1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine

C16H23FN2O2 — CID 107137326

IUPAC1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine
SMILESNC1CCN(c2ccc(OC3CCCOC3)cc2F)CC1
InChIInChI=1S/C16H23FN2O2/c17-15-10-13(21-14-2-1-9-20-11-14)3-4-16(15)19-7-5-12(18)6-8-19/h3-4,10,12,14H,1-2,5-9,11,18H2
InChIKeyCFHTVILMASRCTF-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.31
Rot. Bonds3

About 1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine

1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine (PubChem CID 107137326) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine
PubChem CID107137326
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine
SMILESNC1CCN(c2ccc(OC3CCCOC3)cc2F)CC1
InChIInChI=1S/C16H23FN2O2/c17-15-10-13(21-14-2-1-9-20-11-14)3-4-16(15)19-7-5-12(18)6-8-19/h3-4,10,12,14H,1-2,5-9,11,18H2
InChIKeyCFHTVILMASRCTF-UHFFFAOYSA-N
XLogP2.31
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-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

1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine
CID 107137312
3-(4-fluoro-3-methylphenoxy)oxane
CID 107137923
3-(3-bromo-4-fluorophenoxy)oxane
CID 107134793
1-(4-ethoxy-2-fluorophenyl)piperidin-4-amine
CID 65202408
1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine
CID 65202029
1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine
CID 65202409
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine
CID 63563818
2-fluoro-4-(oxolan-3-yloxy)benzaldehyde
CID 142441431
N-[1-[4-[1-[2-fluoro-4-(oxolan-3-yloxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123701770
4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol
CID 161251606
2-fluoro-5-(oxan-3-yloxy)pyridine
CID 107138049
(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
CID 170235553

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine?
The IUPAC name of 1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine (CID 107137326) is 1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine is NC1CCN(c2ccc(OC3CCCOC3)cc2F)CC1.
What is the InChIKey of 1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine?
The InChIKey is CFHTVILMASRCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-15-10-13(21-14-2-1-9-20-11-14)3-4-16(15)19-7-5-12(18)6-8-19/h3-4,10,12,14H,1-2,5-9,11,18H2.
What are the key properties of 1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine?
1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine has a molecular weight of 294.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 107137326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).