(4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone

C22H33FN2O2 — CID 91916285

IUPAC(4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone
SMILESCC(C)CCN(C1CCOCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H33FN2O2/c1-17(2)7-14-25(21-10-15-27-16-11-21)20-8-12-24(13-9-20)22(26)18-3-5-19(23)6-4-18/h3-6,17,20-21H,7-16H2,1-2H3
InChIKeyYJDBRLXLNVFMBY-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.96
Rot. Bonds6

About (4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone

(4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone (PubChem CID 91916285) has the molecular formula C22H33FN2O2 and a molecular weight of 376.52 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone
PubChem CID91916285
Molecular FormulaC22H33FN2O2
Molecular Weight376.52 g/mol
Exact Mass376.25
IUPAC Name(4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone
SMILESCC(C)CCN(C1CCOCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H33FN2O2/c1-17(2)7-14-25(21-10-15-27-16-11-21)20-8-12-24(13-9-20)22(26)18-3-5-19(23)6-4-18/h3-6,17,20-21H,7-16H2,1-2H3
InChIKeyYJDBRLXLNVFMBY-UHFFFAOYSA-N
XLogP3.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone (CID 91916285) is (4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone is CC(C)CCN(C1CCOCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone?
The InChIKey is YJDBRLXLNVFMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN2O2/c1-17(2)7-14-25(21-10-15-27-16-11-21)20-8-12-24(13-9-20)22(26)18-3-5-19(23)6-4-18/h3-6,17,20-21H,7-16H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone has a molecular weight of 376.52 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[3-methylbutyl(oxan-4-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 91916285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).