1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one

C14H26N2O2 — CID 118531604

IUPAC1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one
SMILESCC(C)(C)N1CCC(N2CCC(O)CC2=O)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)15-7-4-11(5-8-15)16-9-6-12(17)10-13(16)18/h11-12,17H,4-10H2,1-3H3
InChIKeyFSSMZYXCANTTLC-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.23
Rot. Bonds1

About 1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one

1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one (PubChem CID 118531604) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one
PubChem CID118531604
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one
SMILESCC(C)(C)N1CCC(N2CCC(O)CC2=O)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)15-7-4-11(5-8-15)16-9-6-12(17)10-13(16)18/h11-12,17H,4-10H2,1-3H3
InChIKeyFSSMZYXCANTTLC-UHFFFAOYSA-N
XLogP1.23
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one
CID 135298818
1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one
CID 117013989
4-hydroxy-1-prop-1-en-2-ylpiperidin-2-one
CID 134406084
1-tert-butylazocan-5-ol
CID 137410769
1-butyl-4-hydroxypiperidin-2-one
CID 117013970
4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one
CID 168701862
1-cyclopropyl-4-ethylpiperidin-2-one
CID 153405056
(8R,9aS)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 172908007
1-cyclopropyl-4-propan-2-ylpiperidin-2-one
CID 154930951
4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one
CID 91510241
1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one
CID 166007971
1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one
CID 168702823

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one?
The IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one (CID 118531604) is 1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one?
The canonical SMILES for 1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one is CC(C)(C)N1CCC(N2CCC(O)CC2=O)CC1.
What is the InChIKey of 1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one?
The InChIKey is FSSMZYXCANTTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)15-7-4-11(5-8-15)16-9-6-12(17)10-13(16)18/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one?
1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one is sourced from PubChem (CID 118531604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).