(S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol

C14H16N2O — CID 10680871

IUPAC(S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol
SMILESCN(C)c1ccc([C@H](O)c2ccccn2)cc1
InChIInChI=1S/C14H16N2O/c1-16(2)12-8-6-11(7-9-12)14(17)13-5-3-4-10-15-13/h3-10,14,17H,1-2H3/t14-/m0/s1
InChIKeyYNKPODQWJSHJQO-AWEZNQCLSA-N
MW228.30 g/mol
LogP2.23
Rot. Bonds3

About (S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol

(S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol (PubChem CID 10680871) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol
PubChem CID10680871
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol
SMILESCN(C)c1ccc([C@H](O)c2ccccn2)cc1
InChIInChI=1S/C14H16N2O/c1-16(2)12-8-6-11(7-9-12)14(17)13-5-3-4-10-15-13/h3-10,14,17H,1-2H3/t14-/m0/s1
InChIKeyYNKPODQWJSHJQO-AWEZNQCLSA-N
XLogP2.23
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
(R)-(3,4-dimethylphenyl)-pyridin-2-ylmethanol
CID 94481789
(S)-(3,4-dimethylphenyl)-pyridin-2-ylmethanol
CID 94481788
(3,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 14098122
(S)-(3,5-dimethylphenyl)-pyridin-2-ylmethanol
CID 1203668
(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol
CID 129369618
(S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol
CID 94605505
(R)-(4-chloro-3-methylphenyl)-pyridin-2-ylmethanol
CID 97292925
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
(S)-pyridin-2-yl(pyridin-3-yl)methanol
CID 86315351
(3,5-difluorophenyl)-pyridin-2-ylmethanol
CID 62790290
(2-bromophenyl)-[4-(dimethylamino)phenyl]methanol
CID 118122372

Frequently Asked Questions

What is the IUPAC name of (S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol?
The IUPAC name of (S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol (CID 10680871) is (S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol.
What is the SMILES notation for (S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol?
The canonical SMILES for (S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol is CN(C)c1ccc([C@H](O)c2ccccn2)cc1.
What is the InChIKey of (S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol?
The InChIKey is YNKPODQWJSHJQO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16N2O/c1-16(2)12-8-6-11(7-9-12)14(17)13-5-3-4-10-15-13/h3-10,14,17H,1-2H3/t14-/m0/s1.
What are the key properties of (S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol?
(S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol has a molecular weight of 228.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol is sourced from PubChem (CID 10680871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).