(1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol

C15H23NO — CID 78940969

IUPAC(1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol
SMILESCC1CCCN(c2ccc([C@@H](C)O)cc2)C1C
InChIInChI=1S/C15H23NO/c1-11-5-4-10-16(12(11)2)15-8-6-14(7-9-15)13(3)17/h6-9,11-13,17H,4-5,10H2,1-3H3/t11?,12?,13-/m1/s1
InChIKeyNJPDENCTPCMQCH-WXRRBKDZSA-N
MW233.36 g/mol
LogP3.36
Rot. Bonds2

About (1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol

(1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol (PubChem CID 78940969) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol
PubChem CID78940969
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol
SMILESCC1CCCN(c2ccc([C@@H](C)O)cc2)C1C
InChIInChI=1S/C15H23NO/c1-11-5-4-10-16(12(11)2)15-8-6-14(7-9-15)13(3)17/h6-9,11-13,17H,4-5,10H2,1-3H3/t11?,12?,13-/m1/s1
InChIKeyNJPDENCTPCMQCH-WXRRBKDZSA-N
XLogP3.36
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 ≤ 53.36
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-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol (CID 78940969) is (1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol is CC1CCCN(c2ccc([C@@H](C)O)cc2)C1C.
What is the InChIKey of (1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol?
The InChIKey is NJPDENCTPCMQCH-WXRRBKDZSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-5-4-10-16(12(11)2)15-8-6-14(7-9-15)13(3)17/h6-9,11-13,17H,4-5,10H2,1-3H3/t11?,12?,13-/m1/s1.
What are the key properties of (1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol?
(1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol has a molecular weight of 233.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 78940969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).