4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol

C9H17NO — CID 117275084

IUPAC4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol
SMILESOCCCCC1=CCCNC1
InChIInChI=1S/C9H17NO/c11-7-2-1-4-9-5-3-6-10-8-9/h5,10-11H,1-4,6-8H2
InChIKeyIGTXPIJBIHNPKF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds4

About 4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol

4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol (PubChem CID 117275084) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol
PubChem CID117275084
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol
SMILESOCCCCC1=CCCNC1
InChIInChI=1S/C9H17NO/c11-7-2-1-4-9-5-3-6-10-8-9/h5,10-11H,1-4,6-8H2
InChIKeyIGTXPIJBIHNPKF-UHFFFAOYSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
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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Related Compounds

2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine
CID 117125546
5-(2-methylsulfonylethyl)-1,2,3,6-tetrahydropyridine
CID 117125555
5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine
CID 117125550
N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine
CID 117125538
2-(1,2,3,6-tetrahydropyridin-5-yl)ethanethioic S-acid
CID 117125675
ethyl 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate
CID 117125761
N-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide
CID 117125669
N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine
CID 117205877
5-(propan-2-ylsulfonylmethyl)-1,2,3,6-tetrahydropyridine
CID 117125518
(3-hydroxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate
CID 117125748
3-(2-methyl-1,5-dihydropyrazol-4-yl)propan-1-ol
CID 138479529
4-(4-hydroxybutyl)cyclohex-3-en-1-one
CID 10241195

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol?
The IUPAC name of 4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol (CID 117275084) is 4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol.
What is the SMILES notation for 4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol?
The canonical SMILES for 4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol is OCCCCC1=CCCNC1.
What is the InChIKey of 4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol?
The InChIKey is IGTXPIJBIHNPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c11-7-2-1-4-9-5-3-6-10-8-9/h5,10-11H,1-4,6-8H2.
What are the key properties of 4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol?
4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol is sourced from PubChem (CID 117275084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).