[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol

C12H26N2O — CID 61407164

IUPAC[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
SMILESCC(C)(C)NCCN1CCCCC1CO
InChIInChI=1S/C12H26N2O/c1-12(2,3)13-7-9-14-8-5-4-6-11(14)10-15/h11,13,15H,4-10H2,1-3H3
InChIKeyQOFICMGBYPLXIH-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds4

About [1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol

[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol (PubChem CID 61407164) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
PubChem CID61407164
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
SMILESCC(C)(C)NCCN1CCCCC1CO
InChIInChI=1S/C12H26N2O/c1-12(2,3)13-7-9-14-8-5-4-6-11(14)10-15/h11,13,15H,4-10H2,1-3H3
InChIKeyQOFICMGBYPLXIH-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol
CID 116637146
N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine
CID 104689524
[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
CID 116637148
[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
CID 116637143
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428
4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251751
3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid
CID 131943947
[1-[4,4-dimethyl-3-(propylamino)pentyl]azepan-2-yl]methanol
CID 116638141
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide
CID 77062920
(1-ethylazepan-2-yl)methanol
CID 2849413

Frequently Asked Questions

What is the IUPAC name of [1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol (CID 61407164) is [1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol is CC(C)(C)NCCN1CCCCC1CO.
What is the InChIKey of [1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol?
The InChIKey is QOFICMGBYPLXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,3)13-7-9-14-8-5-4-6-11(14)10-15/h11,13,15H,4-10H2,1-3H3.
What are the key properties of [1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol?
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 61407164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).