1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol

C15H29NO2 — CID 163087434

IUPAC1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol
SMILESCCC(O)CC1CC=CC(CC(CC)OC)N1C
InChIInChI=1S/C15H29NO2/c1-5-14(17)10-12-8-7-9-13(16(12)3)11-15(6-2)18-4/h7,9,12-15,17H,5-6,8,10-11H2,1-4H3
InChIKeyKHRQOARMKNDSNW-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.59
Rot. Bonds7

About 1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol

1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol (PubChem CID 163087434) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol.

Molecular Properties

Compound Name1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol
PubChem CID163087434
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol
SMILESCCC(O)CC1CC=CC(CC(CC)OC)N1C
InChIInChI=1S/C15H29NO2/c1-5-14(17)10-12-8-7-9-13(16(12)3)11-15(6-2)18-4/h7,9,12-15,17H,5-6,8,10-11H2,1-4H3
InChIKeyKHRQOARMKNDSNW-UHFFFAOYSA-N
XLogP2.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-6-EN-3-OL
CID 11094703
(Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol
CID 162644673
SK3 Channel-IN-1
CID 162663884
(Z,2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol
CID 162672857
(2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol
CID 162645797
(2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]henicosan-2-ol
CID 162648428
(2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]henicosan-2-ol
CID 162677238
(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol
CID 10682466
Andrachcinine
CID 10777283
(2S)-1-[(2S,6R)-6-[(2S)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol
CID 162998608
8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
CID 564940
6,7-Dehydrotropin
CID 14403146

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol?
The IUPAC name of 1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol (CID 163087434) is 1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol.
What is the SMILES notation for 1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol?
The canonical SMILES for 1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol is CCC(O)CC1CC=CC(CC(CC)OC)N1C.
What is the InChIKey of 1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol?
The InChIKey is KHRQOARMKNDSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-14(17)10-12-8-7-9-13(16(12)3)11-15(6-2)18-4/h7,9,12-15,17H,5-6,8,10-11H2,1-4H3.
What are the key properties of 1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol?
1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol has a molecular weight of 255.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol is sourced from PubChem (CID 163087434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).