3-[(2S)-piperidin-2-yl]phenol

C11H15NO — CID 55277853

IUPAC3-[(2S)-piperidin-2-yl]phenol
SMILESOc1cccc([C@@H]2CCCCN2)c1
InChIInChI=1S/C11H15NO/c13-10-5-3-4-9(8-10)11-6-1-2-7-12-11/h3-5,8,11-13H,1-2,6-7H2/t11-/m0/s1
InChIKeyDHLQLVALWZRDJK-NSHDSACASA-N
MW177.25 g/mol
LogP2.21
Rot. Bonds1

About 3-[(2S)-piperidin-2-yl]phenol

3-[(2S)-piperidin-2-yl]phenol (PubChem CID 55277853) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-[(2S)-piperidin-2-yl]phenol.

Molecular Properties

Compound Name3-[(2S)-piperidin-2-yl]phenol
PubChem CID55277853
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-[(2S)-piperidin-2-yl]phenol
SMILESOc1cccc([C@@H]2CCCCN2)c1
InChIInChI=1S/C11H15NO/c13-10-5-3-4-9(8-10)11-6-1-2-7-12-11/h3-5,8,11-13H,1-2,6-7H2/t11-/m0/s1
InChIKeyDHLQLVALWZRDJK-NSHDSACASA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-piperidin-2-yl]phenol?
The IUPAC name of 3-[(2S)-piperidin-2-yl]phenol (CID 55277853) is 3-[(2S)-piperidin-2-yl]phenol.
What is the SMILES notation for 3-[(2S)-piperidin-2-yl]phenol?
The canonical SMILES for 3-[(2S)-piperidin-2-yl]phenol is Oc1cccc([C@@H]2CCCCN2)c1.
What is the InChIKey of 3-[(2S)-piperidin-2-yl]phenol?
The InChIKey is DHLQLVALWZRDJK-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO/c13-10-5-3-4-9(8-10)11-6-1-2-7-12-11/h3-5,8,11-13H,1-2,6-7H2/t11-/m0/s1.
What are the key properties of 3-[(2S)-piperidin-2-yl]phenol?
3-[(2S)-piperidin-2-yl]phenol has a molecular weight of 177.25 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-piperidin-2-yl]phenol is sourced from PubChem (CID 55277853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).