2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone

C16H30N2O — CID 58394744

IUPAC2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone
SMILESCC(C)(C)C1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-16(2,3)14-7-11-17(12-8-14)13-15(19)18-9-5-4-6-10-18/h14H,4-13H2,1-3H3
InChIKeyKXRMYVAKWSKRHV-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.76
Rot. Bonds2

About 2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone

2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone (PubChem CID 58394744) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone
PubChem CID58394744
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone
SMILESCC(C)(C)C1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-16(2,3)14-7-11-17(12-8-14)13-15(19)18-9-5-4-6-10-18/h14H,4-13H2,1-3H3
InChIKeyKXRMYVAKWSKRHV-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone (CID 58394744) is 2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone is CC(C)(C)C1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is KXRMYVAKWSKRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2,3)14-7-11-17(12-8-14)13-15(19)18-9-5-4-6-10-18/h14H,4-13H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone?
2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 266.43 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 58394744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).