2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol

C13H28N2O — CID 62262685

IUPAC2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol
SMILESCCC(C)(CN)CN1CCCCC1CCO
InChIInChI=1S/C13H28N2O/c1-3-13(2,10-14)11-15-8-5-4-6-12(15)7-9-16/h12,16H,3-11,14H2,1-2H3
InChIKeyHJEYMUNVUYVTQI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.60
Rot. Bonds6

About 2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol

2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol (PubChem CID 62262685) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol
PubChem CID62262685
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol
SMILESCCC(C)(CN)CN1CCCCC1CCO
InChIInChI=1S/C13H28N2O/c1-3-13(2,10-14)11-15-8-5-4-6-12(15)7-9-16/h12,16H,3-11,14H2,1-2H3
InChIKeyHJEYMUNVUYVTQI-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(2-propylpiperidin-1-yl)methyl]butan-1-amine
CID 83055635
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 114495321
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270202
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol
CID 66454911
2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol
CID 62261558
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropanal
CID 62276374
2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83056263
2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]piperidin-2-yl]ethanol
CID 55051425
methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropanoate
CID 79624536
4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79361314
3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol
CID 62479393

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol (CID 62262685) is 2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol is CCC(C)(CN)CN1CCCCC1CCO.
What is the InChIKey of 2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol?
The InChIKey is HJEYMUNVUYVTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-13(2,10-14)11-15-8-5-4-6-12(15)7-9-16/h12,16H,3-11,14H2,1-2H3.
What are the key properties of 2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol?
2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol has a molecular weight of 228.38 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 62262685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).