2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol

C13H28N2O — CID 66454911

IUPAC2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol
SMILESCC(N)C(C)(C)CN1CCCCC1CCO
InChIInChI=1S/C13H28N2O/c1-11(14)13(2,3)10-15-8-5-4-6-12(15)7-9-16/h11-12,16H,4-10,14H2,1-3H3
InChIKeyJTYXCBHYAUFHBS-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.60
Rot. Bonds5

About 2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol

2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol (PubChem CID 66454911) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol
PubChem CID66454911
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol
SMILESCC(N)C(C)(C)CN1CCCCC1CCO
InChIInChI=1S/C13H28N2O/c1-11(14)13(2,3)10-15-8-5-4-6-12(15)7-9-16/h11-12,16H,4-10,14H2,1-3H3
InChIKeyJTYXCBHYAUFHBS-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270202
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 114495321
2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol
CID 62262685
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropanal
CID 62276374
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194
4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79361314
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]piperidin-2-yl]ethanol
CID 55051425
2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol
CID 62261558
methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropanoate
CID 79624536
3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 66452601
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol (CID 66454911) is 2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol is CC(N)C(C)(C)CN1CCCCC1CCO.
What is the InChIKey of 2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol?
The InChIKey is JTYXCBHYAUFHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(14)13(2,3)10-15-8-5-4-6-12(15)7-9-16/h11-12,16H,4-10,14H2,1-3H3.
What are the key properties of 2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol?
2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol has a molecular weight of 228.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 66454911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).