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

C15H29NO — CID 139362657

IUPAC1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)CC(O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO/c1-14(2,3)11-13(17)16-9-7-12(8-10-16)15(4,5)6/h7,13,17H,8-11H2,1-6H3
InChIKeyZLOSOEBKFMFHOY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.42
Rot. Bonds2

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

1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol (PubChem CID 139362657) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol
PubChem CID139362657
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)CC(O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO/c1-14(2,3)11-13(17)16-9-7-12(8-10-16)15(4,5)6/h7,13,17H,8-11H2,1-6H3
InChIKeyZLOSOEBKFMFHOY-UHFFFAOYSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.42
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

2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 176829570
1-(2-Hydroxy-3,3-dimethylbutyl)-4-methyl-1,2,3,6-tetra-hydropyridine
CID 154573971
3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-propan-1-ol
CID 57434761
2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol
CID 130124492
2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
CID 130124494
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
CID 131998330
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 134375299
3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-hydroxymethyl]-1-methylcyclobutan-1-ol
CID 139362656
ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol
CID 143533081
ethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol
CID 145380304
1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol
CID 156804501
(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)methanol
CID 163783061

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol?
The IUPAC name of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol (CID 139362657) is 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol is CC(C)(C)CC(O)N1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol?
The InChIKey is ZLOSOEBKFMFHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)11-13(17)16-9-7-12(8-10-16)15(4,5)6/h7,13,17H,8-11H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol?
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 139362657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).