(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol

C10H19NO — CID 18694259

IUPAC(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol
SMILESCC(C)(C)N1CC=C(CO)CC1
InChIInChI=1S/C10H19NO/c1-10(2,3)11-6-4-9(8-12)5-7-11/h4,12H,5-8H2,1-3H3
InChIKeyRSUXMDBCIUSLCV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds1

About (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol

(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol (PubChem CID 18694259) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol.

Molecular Properties

Compound Name(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol
PubChem CID18694259
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol
SMILESCC(C)(C)N1CC=C(CO)CC1
InChIInChI=1S/C10H19NO/c1-10(2,3)11-6-4-9(8-12)5-7-11/h4,12H,5-8H2,1-3H3
InChIKeyRSUXMDBCIUSLCV-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-tert-butyl-3,6-dihydro-2H-pyridin-4-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

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol?
The IUPAC name of (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol (CID 18694259) is (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol.
What is the SMILES notation for (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol?
The canonical SMILES for (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol is CC(C)(C)N1CC=C(CO)CC1.
What is the InChIKey of (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol?
The InChIKey is RSUXMDBCIUSLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)11-6-4-9(8-12)5-7-11/h4,12H,5-8H2,1-3H3.
What are the key properties of (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol?
(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol is sourced from PubChem (CID 18694259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).