(4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol

C11H21NO — CID 70034791

IUPAC(4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol
SMILESCCCCCC1=CCNCC1CO
InChIInChI=1S/C11H21NO/c1-2-3-4-5-10-6-7-12-8-11(10)9-13/h6,11-13H,2-5,7-9H2,1H3
InChIKeyWFHGCHFPAZYARC-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.70
Rot. Bonds5

About (4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol

(4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol (PubChem CID 70034791) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol.

Molecular Properties

Compound Name(4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol
PubChem CID70034791
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol
SMILESCCCCCC1=CCNCC1CO
InChIInChI=1S/C11H21NO/c1-2-3-4-5-10-6-7-12-8-11(10)9-13/h6,11-13H,2-5,7-9H2,1H3
InChIKeyWFHGCHFPAZYARC-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.70
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 (4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol?
The IUPAC name of (4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol (CID 70034791) is (4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol.
What is the SMILES notation for (4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol?
The canonical SMILES for (4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol is CCCCCC1=CCNCC1CO.
What is the InChIKey of (4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol?
The InChIKey is WFHGCHFPAZYARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-5-10-6-7-12-8-11(10)9-13/h6,11-13H,2-5,7-9H2,1H3.
What are the key properties of (4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol?
(4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol has a molecular weight of 183.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol is sourced from PubChem (CID 70034791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).