oxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone

C14H25NO2 — CID 127621149

IUPACoxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CCCCO2)CC1
InChIInChI=1S/C14H25NO2/c1-11(2)12-6-8-15(9-7-12)14(16)13-5-3-4-10-17-13/h11-13H,3-10H2,1-2H3
InChIKeyYKHRDNJDGVNPGX-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.45
Rot. Bonds2

About oxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone

oxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 127621149) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is oxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Nameoxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID127621149
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameoxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CCCCO2)CC1
InChIInChI=1S/C14H25NO2/c1-11(2)12-6-8-15(9-7-12)14(16)13-5-3-4-10-17-13/h11-13H,3-10H2,1-2H3
InChIKeyYKHRDNJDGVNPGX-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of oxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone (CID 127621149) is oxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for oxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for oxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2CCCCO2)CC1.
What is the InChIKey of oxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is YKHRDNJDGVNPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)12-6-8-15(9-7-12)14(16)13-5-3-4-10-17-13/h11-13H,3-10H2,1-2H3.
What are the key properties of oxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone?
oxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 127621149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).