1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone

C16H30N2O2 — CID 167883797

IUPAC1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC(C(C)(C)C)C(O)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-12(19)17-8-5-13(6-9-17)18-10-7-14(15(20)11-18)16(2,3)4/h13-15,20H,5-11H2,1-4H3
InChIKeyRQDOHHURCZMKME-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.73
Rot. Bonds1

About 1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone

1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone (PubChem CID 167883797) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
PubChem CID167883797
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC(C(C)(C)C)C(O)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-12(19)17-8-5-13(6-9-17)18-10-7-14(15(20)11-18)16(2,3)4/h13-15,20H,5-11H2,1-4H3
InChIKeyRQDOHHURCZMKME-UHFFFAOYSA-N
XLogP1.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 129406555
N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide
CID 110133174
1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone
CID 131905563
1-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]piperidin-1-yl]ethanone
CID 90163867
1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 114239065
1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
CID 165078981
3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 122017885
N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 155986872
1-[4-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 124947578
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
(2S)-1-[(3S,4S)-4-tert-butyl-3-hydroxypiperidin-1-yl]-2-methoxy-2-phenylethanone
CID 98856814
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone (CID 167883797) is 1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCC(C(C)(C)C)C(O)C2)CC1.
What is the InChIKey of 1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is RQDOHHURCZMKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(19)17-8-5-13(6-9-17)18-10-7-14(15(20)11-18)16(2,3)4/h13-15,20H,5-11H2,1-4H3.
What are the key properties of 1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone?
1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 282.43 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 167883797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).