1-(1-butan-2-ylpiperidin-2-yl)ethanol

C11H23NO — CID 130747081

IUPAC1-(1-butan-2-ylpiperidin-2-yl)ethanol
SMILESCCC(C)N1CCCCC1C(C)O
InChIInChI=1S/C11H23NO/c1-4-9(2)12-8-6-5-7-11(12)10(3)13/h9-11,13H,4-8H2,1-3H3
InChIKeyQBJNUULDVHVLKL-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.02
Rot. Bonds3

About 1-(1-butan-2-ylpiperidin-2-yl)ethanol

1-(1-butan-2-ylpiperidin-2-yl)ethanol (PubChem CID 130747081) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(1-butan-2-ylpiperidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-butan-2-ylpiperidin-2-yl)ethanol
PubChem CID130747081
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(1-butan-2-ylpiperidin-2-yl)ethanol
SMILESCCC(C)N1CCCCC1C(C)O
InChIInChI=1S/C11H23NO/c1-4-9(2)12-8-6-5-7-11(12)10(3)13/h9-11,13H,4-8H2,1-3H3
InChIKeyQBJNUULDVHVLKL-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(1-hydroxyethyl)piperidin-2-yl]ethanol
CID 122614507
(2R)-2-[(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butanoic acid
CID 129498272
2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid
CID 121201708
2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol
CID 130502556
1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 130621072
1-butan-2-yl-2-methylpyrrolidine;ethane
CID 166157977
1-butan-2-yl-2-fluoropyrrolidine
CID 167204489
(1R)-1-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]ethanol
CID 129414164
(1R)-1-[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]ethanol
CID 129414162
2-butan-2-yl-1-hydroxypiperidine
CID 15640781
1-butan-2-yl-2-cyclopropylpyrrolidine
CID 131083099
1-butan-2-yl-2-phenylpiperidine
CID 167239134

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpiperidin-2-yl)ethanol?
The IUPAC name of 1-(1-butan-2-ylpiperidin-2-yl)ethanol (CID 130747081) is 1-(1-butan-2-ylpiperidin-2-yl)ethanol.
What is the SMILES notation for 1-(1-butan-2-ylpiperidin-2-yl)ethanol?
The canonical SMILES for 1-(1-butan-2-ylpiperidin-2-yl)ethanol is CCC(C)N1CCCCC1C(C)O.
What is the InChIKey of 1-(1-butan-2-ylpiperidin-2-yl)ethanol?
The InChIKey is QBJNUULDVHVLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-9(2)12-8-6-5-7-11(12)10(3)13/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 1-(1-butan-2-ylpiperidin-2-yl)ethanol?
1-(1-butan-2-ylpiperidin-2-yl)ethanol has a molecular weight of 185.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpiperidin-2-yl)ethanol is sourced from PubChem (CID 130747081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).