(3S)-1-(2-methylpentan-2-yl)piperidin-3-ol

C11H23NO — CID 130272331

IUPAC(3S)-1-(2-methylpentan-2-yl)piperidin-3-ol
SMILESCCCC(C)(C)N1CCC[C@H](O)C1
InChIInChI=1S/C11H23NO/c1-4-7-11(2,3)12-8-5-6-10(13)9-12/h10,13H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyDAYWWQPUYOAEBQ-JTQLQIEISA-N
MW185.31 g/mol
LogP2.02
Rot. Bonds3

About (3S)-1-(2-methylpentan-2-yl)piperidin-3-ol

(3S)-1-(2-methylpentan-2-yl)piperidin-3-ol (PubChem CID 130272331) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3S)-1-(2-methylpentan-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-methylpentan-2-yl)piperidin-3-ol
PubChem CID130272331
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3S)-1-(2-methylpentan-2-yl)piperidin-3-ol
SMILESCCCC(C)(C)N1CCC[C@H](O)C1
InChIInChI=1S/C11H23NO/c1-4-7-11(2,3)12-8-5-6-10(13)9-12/h10,13H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyDAYWWQPUYOAEBQ-JTQLQIEISA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylpentan-2-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-(2-methylpentan-2-yl)piperidin-3-ol (CID 130272331) is (3S)-1-(2-methylpentan-2-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(2-methylpentan-2-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(2-methylpentan-2-yl)piperidin-3-ol is CCCC(C)(C)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-(2-methylpentan-2-yl)piperidin-3-ol?
The InChIKey is DAYWWQPUYOAEBQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23NO/c1-4-7-11(2,3)12-8-5-6-10(13)9-12/h10,13H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-1-(2-methylpentan-2-yl)piperidin-3-ol?
(3S)-1-(2-methylpentan-2-yl)piperidin-3-ol 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 (3S)-1-(2-methylpentan-2-yl)piperidin-3-ol is sourced from PubChem (CID 130272331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).