(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol

C13H17NO — CID 11469758

IUPAC(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol
SMILESC[C@H]1C=C[C@H](O)CN1Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-11-7-8-13(15)10-14(11)9-12-5-3-2-4-6-12/h2-8,11,13,15H,9-10H2,1H3/t11-,13-/m0/s1
InChIKeyDRXCJDFWEJKJFR-AAEUAGOBSA-N
MW203.29 g/mol
LogP1.81
Rot. Bonds2

About (3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol

(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol (PubChem CID 11469758) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol.

Molecular Properties

Compound Name(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol
PubChem CID11469758
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol
SMILESC[C@H]1C=C[C@H](O)CN1Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-11-7-8-13(15)10-14(11)9-12-5-3-2-4-6-12/h2-8,11,13,15H,9-10H2,1H3/t11-,13-/m0/s1
InChIKeyDRXCJDFWEJKJFR-AAEUAGOBSA-N
XLogP1.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 6421584
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(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 58099616
(2S,3S,4S)-1-benzyl-3-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 11658718
1-benzyl-3-methylazetidine-2-carboxylic acid
CID 130020571
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
2-(1-benzylaziridin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 102132655
1-benzyl-2,5-dimethylpiperidine
CID 73200484
1-benzyl-2,4,5-trimethylpiperazine
CID 72621990
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol?
The IUPAC name of (3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol (CID 11469758) is (3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol.
What is the SMILES notation for (3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol?
The canonical SMILES for (3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol is C[C@H]1C=C[C@H](O)CN1Cc1ccccc1.
What is the InChIKey of (3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol?
The InChIKey is DRXCJDFWEJKJFR-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H17NO/c1-11-7-8-13(15)10-14(11)9-12-5-3-2-4-6-12/h2-8,11,13,15H,9-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of (3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol?
(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol has a molecular weight of 203.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol is sourced from PubChem (CID 11469758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).