(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol

C7H14NO+ — CID 54290957

IUPAC(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol
SMILESC[N+]1(CO)CC=CCC1
InChIInChI=1S/C7H14NO/c1-8(7-9)5-3-2-4-6-8/h2-3,9H,4-7H2,1H3/q+1
InChIKeyBLQRKBNYZXUOKM-UHFFFAOYSA-N
MW128.19 g/mol
LogP0.34
Rot. Bonds1

About (1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol

(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol (PubChem CID 54290957) has the molecular formula C7H14NO+ and a molecular weight of 128.19 g/mol. Its IUPAC name is (1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol.

Molecular Properties

Compound Name(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol
PubChem CID54290957
Molecular FormulaC7H14NO+
Molecular Weight128.19 g/mol
Exact Mass128.11
IUPAC Name(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol
SMILESC[N+]1(CO)CC=CCC1
InChIInChI=1S/C7H14NO/c1-8(7-9)5-3-2-4-6-8/h2-3,9H,4-7H2,1H3/q+1
InChIKeyBLQRKBNYZXUOKM-UHFFFAOYSA-N
XLogP0.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol 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

1(2H)-Pyridineethanol, 3,6-dihydro-
CID 6421688
1-(3,6-dihydro-2H-pyridin-1-yl)ethanol
CID 17977140
3-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 20392020
3,6-dihydro-2H-pyridin-1-ylmethanol
CID 23339028
1-(3,6-dihydro-2H-pyridin-1-yl)prop-2-en-1-ol
CID 69864941
3-(3,6-dihydro-2H-pyridin-1-yl)prop-1-en-1-ol
CID 69864946
1-(2-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
CID 70381671
1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 70613755
1-[methyl-[(3E,6E)-octa-3,6-dienyl]amino]ethanol
CID 87095654
1-[ethyl-[(2E,5E)-octa-2,5-dienyl]amino]ethanol
CID 87095700
1-[methyl-[(2E,5E)-octa-2,5-dienyl]amino]ethanol
CID 87095741
1-[ethyl-[(3E,6E)-octa-3,6-dienyl]amino]ethanol
CID 87095793

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol?
The IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol (CID 54290957) is (1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol.
What is the SMILES notation for (1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol?
The canonical SMILES for (1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol is C[N+]1(CO)CC=CCC1.
What is the InChIKey of (1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol?
The InChIKey is BLQRKBNYZXUOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO/c1-8(7-9)5-3-2-4-6-8/h2-3,9H,4-7H2,1H3/q+1.
What are the key properties of (1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol?
(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol has a molecular weight of 128.19 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)methanol is sourced from PubChem (CID 54290957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).