4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol

C13H25NO — CID 101361283

IUPAC4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol
SMILESCCCCN1CCC=C(CCC(C)O)C1
InChIInChI=1S/C13H25NO/c1-3-4-9-14-10-5-6-13(11-14)8-7-12(2)15/h6,12,15H,3-5,7-11H2,1-2H3
InChIKeyCPDVHKBZLQLMKI-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds6

About 4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol

4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol (PubChem CID 101361283) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol.

Molecular Properties

Compound Name4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol
PubChem CID101361283
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol
SMILESCCCCN1CCC=C(CCC(C)O)C1
InChIInChI=1S/C13H25NO/c1-3-4-9-14-10-5-6-13(11-14)8-7-12(2)15/h6,12,15H,3-5,7-11H2,1-2H3
InChIKeyCPDVHKBZLQLMKI-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
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 4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol?
The IUPAC name of 4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol (CID 101361283) is 4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol.
What is the SMILES notation for 4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol?
The canonical SMILES for 4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol is CCCCN1CCC=C(CCC(C)O)C1.
What is the InChIKey of 4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol?
The InChIKey is CPDVHKBZLQLMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-9-14-10-5-6-13(11-14)8-7-12(2)15/h6,12,15H,3-5,7-11H2,1-2H3.
What are the key properties of 4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol?
4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)butan-2-ol is sourced from PubChem (CID 101361283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).