(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol

C14H16N2O — CID 129369618

IUPAC(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol
SMILESCN(C)c1ccc([C@H](O)c2cccnc2)cc1
InChIInChI=1S/C14H16N2O/c1-16(2)13-7-5-11(6-8-13)14(17)12-4-3-9-15-10-12/h3-10,14,17H,1-2H3/t14-/m0/s1
InChIKeySZMURKYDDWOHDE-AWEZNQCLSA-N
MW228.30 g/mol
LogP2.23
Rot. Bonds3

About (S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol

(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol (PubChem CID 129369618) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol
PubChem CID129369618
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol
SMILESCN(C)c1ccc([C@H](O)c2cccnc2)cc1
InChIInChI=1S/C14H16N2O/c1-16(2)13-7-5-11(6-8-13)14(17)12-4-3-9-15-10-12/h3-10,14,17H,1-2H3/t14-/m0/s1
InChIKeySZMURKYDDWOHDE-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

(4-propylphenyl)-pyridin-3-ylmethanol
CID 61087023
[4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol
CID 10401799
(R)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]-pyridin-3-ylmethanol
CID 11860680
[4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol
CID 63895218
2-hydroxy-N,N-dimethyl-2-pyridin-3-ylacetamide
CID 83529938
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
CID 63893480
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide
CID 71664480
(S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol
CID 10680871
(4-bromo-3-methylphenyl)-pyridin-3-ylmethanol
CID 81447903
pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63895689

Frequently Asked Questions

What is the IUPAC name of (S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol?
The IUPAC name of (S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol (CID 129369618) is (S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol.
What is the SMILES notation for (S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol?
The canonical SMILES for (S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol is CN(C)c1ccc([C@H](O)c2cccnc2)cc1.
What is the InChIKey of (S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol?
The InChIKey is SZMURKYDDWOHDE-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16N2O/c1-16(2)13-7-5-11(6-8-13)14(17)12-4-3-9-15-10-12/h3-10,14,17H,1-2H3/t14-/m0/s1.
What are the key properties of (S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol?
(S)-[4-(dimethylamino)phenyl]-pyridin-3-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-3-ylmethanol is sourced from PubChem (CID 129369618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).