2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol

C12H25NO2 — CID 171581121

IUPAC2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol
SMILESCC(C)(C)N1CC(CO)CC(CCO)C1
InChIInChI=1S/C12H25NO2/c1-12(2,3)13-7-10(4-5-14)6-11(8-13)9-15/h10-11,14-15H,4-9H2,1-3H3
InChIKeyBJIYUYIPMCYXNQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.10
Rot. Bonds3

About 2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol

2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol (PubChem CID 171581121) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol
PubChem CID171581121
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol
SMILESCC(C)(C)N1CC(CO)CC(CCO)C1
InChIInChI=1S/C12H25NO2/c1-12(2,3)13-7-10(4-5-14)6-11(8-13)9-15/h10-11,14-15H,4-9H2,1-3H3
InChIKeyBJIYUYIPMCYXNQ-UHFFFAOYSA-N
XLogP1.10
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Isopropylpiperidin-3-Yl)Methanol
CID 23559485
2-(1-Methylpiperidin-3-yl)ethan-1-ol
CID 21702803
1-(1-Propylpiperidin-3-yl)ethan-1-ol
CID 21317077
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
2-(1-Tert-butylpiperidin-3-yl)-2-fluoroethanol
CID 105455790
[4-(2-Fluoropropyl)-1-methylpiperidin-3-yl]methanol
CID 115017921
1-[3-(Hydroxymethyl)piperidin-1-yl]ethanol
CID 3024067
1,5,6,6-Tetramethylpiperidin-2-ol
CID 17995320
2-(1-Propan-2-ylpiperidin-3-yl)ethanol
CID 19097405
3-(1-Propan-2-ylpiperidin-3-yl)propan-1-ol
CID 19097422
2-[1-(2-Hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]ethanol
CID 20317233
2-(1,2,2,6,6-Pentamethylpiperidin-4-yl)ethanol
CID 20585438

Frequently Asked Questions

What is the IUPAC name of 2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol (CID 171581121) is 2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol is CC(C)(C)N1CC(CO)CC(CCO)C1.
What is the InChIKey of 2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol?
The InChIKey is BJIYUYIPMCYXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)13-7-10(4-5-14)6-11(8-13)9-15/h10-11,14-15H,4-9H2,1-3H3.
What are the key properties of 2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol?
2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol has a molecular weight of 215.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 171581121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).