[1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol

C17H36N2O — CID 62278559

IUPAC[1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol
SMILESCCC(CC)(CNC(C)(C)C)CN1CCCC(CO)C1
InChIInChI=1S/C17H36N2O/c1-6-17(7-2,13-18-16(3,4)5)14-19-10-8-9-15(11-19)12-20/h15,18,20H,6-14H2,1-5H3
InChIKeyDGODBQADYMPJFB-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.89
Rot. Bonds7

About [1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol

[1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol (PubChem CID 62278559) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is [1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol
PubChem CID62278559
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name[1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol
SMILESCCC(CC)(CNC(C)(C)C)CN1CCCC(CO)C1
InChIInChI=1S/C17H36N2O/c1-6-17(7-2,13-18-16(3,4)5)14-19-10-8-9-15(11-19)12-20/h15,18,20H,6-14H2,1-5H3
InChIKeyDGODBQADYMPJFB-UHFFFAOYSA-N
XLogP2.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol
CID 112629064
2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol
CID 107228852
2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol
CID 107229026
[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-3-yl]methanol
CID 62276274
N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 106588959
2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol
CID 107228972
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal
CID 62275779
N-tert-butyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine
CID 63483212
2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine
CID 106588987
N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine
CID 114539716
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496386

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol (CID 62278559) is [1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol is CCC(CC)(CNC(C)(C)C)CN1CCCC(CO)C1.
What is the InChIKey of [1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol?
The InChIKey is DGODBQADYMPJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-17(7-2,13-18-16(3,4)5)14-19-10-8-9-15(11-19)12-20/h15,18,20H,6-14H2,1-5H3.
What are the key properties of [1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol?
[1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol has a molecular weight of 284.49 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol is sourced from PubChem (CID 62278559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).