1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone

C17H32N2O — CID 118531398

IUPAC1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CN2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H32N2O/c1-14(20)19-11-5-15(6-12-19)13-18-9-7-16(8-10-18)17(2,3)4/h15-16H,5-13H2,1-4H3
InChIKeyUHMZZYGKWXNTMT-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.00
Rot. Bonds2

About 1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone

1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 118531398) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID118531398
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CN2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H32N2O/c1-14(20)19-11-5-15(6-12-19)13-18-9-7-16(8-10-18)17(2,3)4/h15-16H,5-13H2,1-4H3
InChIKeyUHMZZYGKWXNTMT-UHFFFAOYSA-N
XLogP3.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone (CID 118531398) is 1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CN2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is UHMZZYGKWXNTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14(20)19-11-5-15(6-12-19)13-18-9-7-16(8-10-18)17(2,3)4/h15-16H,5-13H2,1-4H3.
What are the key properties of 1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 280.46 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118531398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).