2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol

C15H23NO — CID 104969310

IUPAC2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol
SMILESCC(c1ccccc1O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C15H23NO/c1-11-7-6-8-12(2)16(11)13(3)14-9-4-5-10-15(14)17/h4-5,9-13,17H,6-8H2,1-3H3/t11-,12+,13?
InChIKeyOTLFZCREZXUQSM-FUNVUKJBSA-N
MW233.36 g/mol
LogP3.72
Rot. Bonds2

About 2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol

2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol (PubChem CID 104969310) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol
PubChem CID104969310
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol
SMILESCC(c1ccccc1O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C15H23NO/c1-11-7-6-8-12(2)16(11)13(3)14-9-4-5-10-15(14)17/h4-5,9-13,17H,6-8H2,1-3H3/t11-,12+,13?
InChIKeyOTLFZCREZXUQSM-FUNVUKJBSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol?
The IUPAC name of 2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol (CID 104969310) is 2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol.
What is the SMILES notation for 2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol?
The canonical SMILES for 2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol is CC(c1ccccc1O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol?
The InChIKey is OTLFZCREZXUQSM-FUNVUKJBSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-7-6-8-12(2)16(11)13(3)14-9-4-5-10-15(14)17/h4-5,9-13,17H,6-8H2,1-3H3/t11-,12+,13?.
What are the key properties of 2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol?
2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol has a molecular weight of 233.36 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol is sourced from PubChem (CID 104969310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).