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

C14H27NO2 — CID 566033

IUPAC1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol
SMILESCCC(O)CC1C=CCC(CC(O)CC)N1C
InChIInChI=1S/C14H27NO2/c1-4-13(16)9-11-7-6-8-12(15(11)3)10-14(17)5-2/h6-7,11-14,16-17H,4-5,8-10H2,1-3H3
InChIKeyJYEDTYMWZCKFSV-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.94
Rot. Bonds6

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

1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol (PubChem CID 566033) has the molecular formula C14H27NO2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol.

Molecular Properties

Compound Name1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol
PubChem CID566033
Molecular FormulaC14H27NO2
Molecular Weight241.38 g/mol
Exact Mass241.20
IUPAC Name1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol
SMILESCCC(O)CC1C=CCC(CC(O)CC)N1C
InChIInChI=1S/C14H27NO2/c1-4-13(16)9-11-7-6-8-12(15(11)3)10-14(17)5-2/h6-7,11-14,16-17H,4-5,8-10H2,1-3H3
InChIKeyJYEDTYMWZCKFSV-UHFFFAOYSA-N
XLogP1.94
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol?
The IUPAC name of 1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol (CID 566033) is 1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol.
What is the SMILES notation for 1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol?
The canonical SMILES for 1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol is CCC(O)CC1C=CCC(CC(O)CC)N1C.
What is the InChIKey of 1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol?
The InChIKey is JYEDTYMWZCKFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-13(16)9-11-7-6-8-12(15(11)3)10-14(17)5-2/h6-7,11-14,16-17H,4-5,8-10H2,1-3H3.
What are the key properties of 1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol?
1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol has a molecular weight of 241.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol is sourced from PubChem (CID 566033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).