(1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol

C15H23NO — CID 78939318

IUPAC(1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol
SMILESCC1CC(C)CN(c2ccc([C@@H](C)O)cc2)C1
InChIInChI=1S/C15H23NO/c1-11-8-12(2)10-16(9-11)15-6-4-14(5-7-15)13(3)17/h4-7,11-13,17H,8-10H2,1-3H3/t11?,12?,13-/m1/s1
InChIKeyFHWQDXRKZBOCIB-WXRRBKDZSA-N
MW233.36 g/mol
LogP3.22
Rot. Bonds2

About (1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol

(1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol (PubChem CID 78939318) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol
PubChem CID78939318
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol
SMILESCC1CC(C)CN(c2ccc([C@@H](C)O)cc2)C1
InChIInChI=1S/C15H23NO/c1-11-8-12(2)10-16(9-11)15-6-4-14(5-7-15)13(3)17/h4-7,11-13,17H,8-10H2,1-3H3/t11?,12?,13-/m1/s1
InChIKeyFHWQDXRKZBOCIB-WXRRBKDZSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol (CID 78939318) is (1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol is CC1CC(C)CN(c2ccc([C@@H](C)O)cc2)C1.
What is the InChIKey of (1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol?
The InChIKey is FHWQDXRKZBOCIB-WXRRBKDZSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-8-12(2)10-16(9-11)15-6-4-14(5-7-15)13(3)17/h4-7,11-13,17H,8-10H2,1-3H3/t11?,12?,13-/m1/s1.
What are the key properties of (1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol?
(1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol has a molecular weight of 233.36 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 78939318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).