2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol

C9H17NO — CID 117274066

IUPAC2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol
SMILESCC(C)(CO)C1=CCNCC1
InChIInChI=1S/C9H17NO/c1-9(2,7-11)8-3-5-10-6-4-8/h3,10-11H,4-7H2,1-2H3
InChIKeyPNRJDMTUVJUUJT-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.92
Rot. Bonds2

About 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol

2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol (PubChem CID 117274066) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol
PubChem CID117274066
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol
SMILESCC(C)(CO)C1=CCNCC1
InChIInChI=1S/C9H17NO/c1-9(2,7-11)8-3-5-10-6-4-8/h3,10-11H,4-7H2,1-2H3
InChIKeyPNRJDMTUVJUUJT-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol (CID 117274066) is 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol is CC(C)(CO)C1=CCNCC1.
What is the InChIKey of 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol?
The InChIKey is PNRJDMTUVJUUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2,7-11)8-3-5-10-6-4-8/h3,10-11H,4-7H2,1-2H3.
What are the key properties of 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol?
2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol is sourced from PubChem (CID 117274066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).