1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone

C16H30N2O — CID 59014298

IUPAC1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone
SMILESCC(=O)C1(N2CCCCC2)CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-14(19)16(18-10-6-5-7-11-18)8-12-17(13-9-16)15(2,3)4/h5-13H2,1-4H3
InChIKeyXPCCVUOUZJBCAT-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.69
Rot. Bonds2

About 1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone

1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone (PubChem CID 59014298) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone
PubChem CID59014298
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone
SMILESCC(=O)C1(N2CCCCC2)CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-14(19)16(18-10-6-5-7-11-18)8-12-17(13-9-16)15(2,3)4/h5-13H2,1-4H3
InChIKeyXPCCVUOUZJBCAT-UHFFFAOYSA-N
XLogP2.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone (CID 59014298) is 1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone is CC(=O)C1(N2CCCCC2)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone?
The InChIKey is XPCCVUOUZJBCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14(19)16(18-10-6-5-7-11-18)8-12-17(13-9-16)15(2,3)4/h5-13H2,1-4H3.
What are the key properties of 1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone?
1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone has a molecular weight of 266.43 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 59014298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).