(2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone

C15H27NO2 — CID 58563890

IUPAC(2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone
SMILESCC(C)(C)C1CCCCN1C(=O)C1CCOCC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)13-6-4-5-9-16(13)14(17)12-7-10-18-11-8-12/h12-13H,4-11H2,1-3H3
InChIKeyMLGFKSXZVNDRGZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.84
Rot. Bonds1

About (2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone

(2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone (PubChem CID 58563890) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone
PubChem CID58563890
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone
SMILESCC(C)(C)C1CCCCN1C(=O)C1CCOCC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)13-6-4-5-9-16(13)14(17)12-7-10-18-11-8-12/h12-13H,4-11H2,1-3H3
InChIKeyMLGFKSXZVNDRGZ-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone?
The IUPAC name of (2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone (CID 58563890) is (2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone is CC(C)(C)C1CCCCN1C(=O)C1CCOCC1.
What is the InChIKey of (2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone?
The InChIKey is MLGFKSXZVNDRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2,3)13-6-4-5-9-16(13)14(17)12-7-10-18-11-8-12/h12-13H,4-11H2,1-3H3.
What are the key properties of (2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone?
(2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 58563890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).