3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol

C14H27NO — CID 10900303

IUPAC3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol
SMILESCCCCCC[C@@H]1C=CC[C@H](CCCO)N1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-8-13-9-6-10-14(15-13)11-7-12-16/h6,9,13-16H,2-5,7-8,10-12H2,1H3/t13-,14-/m1/s1
InChIKeyGXVJLDSQPOHQGS-ZIAGYGMSSA-N
MW225.38 g/mol
LogP3.02
Rot. Bonds8

About 3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol

3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol (PubChem CID 10900303) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol
PubChem CID10900303
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol
SMILESCCCCCC[C@@H]1C=CC[C@H](CCCO)N1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-8-13-9-6-10-14(15-13)11-7-12-16/h6,9,13-16H,2-5,7-8,10-12H2,1H3/t13-,14-/m1/s1
InChIKeyGXVJLDSQPOHQGS-ZIAGYGMSSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol (CID 10900303) is 3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol is CCCCCC[C@@H]1C=CC[C@H](CCCO)N1.
What is the InChIKey of 3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol?
The InChIKey is GXVJLDSQPOHQGS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-5-8-13-9-6-10-14(15-13)11-7-12-16/h6,9,13-16H,2-5,7-8,10-12H2,1H3/t13-,14-/m1/s1.
What are the key properties of 3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol?
3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol is sourced from PubChem (CID 10900303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).