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

C15H28N2O — CID 114249783

IUPAC3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylpiperidin-4-ol
SMILESCC(C)(C)C1=CCN(C2CNCCC2(C)O)CC1
InChIInChI=1S/C15H28N2O/c1-14(2,3)12-5-9-17(10-6-12)13-11-16-8-7-15(13,4)18/h5,13,16,18H,6-11H2,1-4H3
InChIKeyWRGVRDPDBBRAER-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.78
Rot. Bonds1

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

3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylpiperidin-4-ol (PubChem CID 114249783) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylpiperidin-4-ol
PubChem CID114249783
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylpiperidin-4-ol
SMILESCC(C)(C)C1=CCN(C2CNCCC2(C)O)CC1
InChIInChI=1S/C15H28N2O/c1-14(2,3)12-5-9-17(10-6-12)13-11-16-8-7-15(13,4)18/h5,13,16,18H,6-11H2,1-4H3
InChIKeyWRGVRDPDBBRAER-UHFFFAOYSA-N
XLogP1.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.78
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

4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol
CID 114460113
4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol
CID 114460137
4-{[(1,5-Dimethylhex-4-en-1-yl)amino]methyl}-1-methylpiperidin-4-ol
CID 131903414

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylpiperidin-4-ol (CID 114249783) is 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylpiperidin-4-ol is CC(C)(C)C1=CCN(C2CNCCC2(C)O)CC1.
What is the InChIKey of 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylpiperidin-4-ol?
The InChIKey is WRGVRDPDBBRAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14(2,3)12-5-9-17(10-6-12)13-11-16-8-7-15(13,4)18/h5,13,16,18H,6-11H2,1-4H3.
What are the key properties of 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylpiperidin-4-ol?
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylpiperidin-4-ol has a molecular weight of 252.40 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 114249783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).