1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine

C16H23FN2O2 — CID 63936921

IUPAC1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine
SMILESNC1CCN(c2cc(F)ccc2OC2CCOCC2)CC1
InChIInChI=1S/C16H23FN2O2/c17-12-1-2-16(21-14-5-9-20-10-6-14)15(11-12)19-7-3-13(18)4-8-19/h1-2,11,13-14H,3-10,18H2
InChIKeyNWUJHKUSHLCJGP-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.31
Rot. Bonds3

About 1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine

1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine (PubChem CID 63936921) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine
PubChem CID63936921
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine
SMILESNC1CCN(c2cc(F)ccc2OC2CCOCC2)CC1
InChIInChI=1S/C16H23FN2O2/c17-12-1-2-16(21-14-5-9-20-10-6-14)15(11-12)19-7-3-13(18)4-8-19/h1-2,11,13-14H,3-10,18H2
InChIKeyNWUJHKUSHLCJGP-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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine?
The IUPAC name of 1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine (CID 63936921) is 1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine is NC1CCN(c2cc(F)ccc2OC2CCOCC2)CC1.
What is the InChIKey of 1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine?
The InChIKey is NWUJHKUSHLCJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-12-1-2-16(21-14-5-9-20-10-6-14)15(11-12)19-7-3-13(18)4-8-19/h1-2,11,13-14H,3-10,18H2.
What are the key properties of 1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine?
1-[5-fluoro-2-(oxan-4-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-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 63936921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).