1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone

C16H31N3O — CID 58525104

IUPAC1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-16(2,3)14-5-7-19(8-6-14)15(20)13-18-11-9-17(4)10-12-18/h14H,5-13H2,1-4H3
InChIKeySDYOWLKMTCSTGB-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.52
Rot. Bonds2

About 1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone

1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 58525104) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID58525104
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-16(2,3)14-5-7-19(8-6-14)15(20)13-18-11-9-17(4)10-12-18/h14H,5-13H2,1-4H3
InChIKeySDYOWLKMTCSTGB-UHFFFAOYSA-N
XLogP1.52
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone (CID 58525104) is 1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)N2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is SDYOWLKMTCSTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-16(2,3)14-5-7-19(8-6-14)15(20)13-18-11-9-17(4)10-12-18/h14H,5-13H2,1-4H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 58525104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).