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

C8H15NO — CID 117205813

IUPAC3-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-ol
SMILESOCCCC1=CCCNC1
InChIInChI=1S/C8H15NO/c10-6-2-4-8-3-1-5-9-7-8/h3,9-10H,1-2,4-7H2
InChIKeyWKDCCSMPNOHQLH-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds3

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

3-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-ol (PubChem CID 117205813) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-ol
PubChem CID117205813
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-ol
SMILESOCCCC1=CCCNC1
InChIInChI=1S/C8H15NO/c10-6-2-4-8-3-1-5-9-7-8/h3,9-10H,1-2,4-7H2
InChIKeyWKDCCSMPNOHQLH-UHFFFAOYSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-Methylbut-2-enylamino)pentan-1-ol
CID 107302858
2-(1,2,3,6-Tetrahydropyridin-4-yl)ethanol
CID 22928802
3-(2,3,6,7-tetrahydro-1H-azepin-4-yl)propan-1-ol
CID 67951249
2-(5-Propyl-1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol
CID 68213274
(Z)-2-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)hept-4-en-1-ol
CID 68213313
2-Methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol
CID 117274066
2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol
CID 142022444
5-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]pentan-1-ol
CID 145797534
5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol
CID 163770691
5-(Cyclohex-3-en-1-ylmethylamino)pentan-1-ol
CID 62226980
5-[2-(Cyclohexen-1-yl)ethylamino]pentan-1-ol
CID 62325453
5-(Cyclohex-3-en-1-ylamino)pentan-1-ol
CID 65701512

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-ol?
The IUPAC name of 3-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-ol (CID 117205813) is 3-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-ol.
What is the SMILES notation for 3-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-ol?
The canonical SMILES for 3-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-ol is OCCCC1=CCCNC1.
What is the InChIKey of 3-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-ol?
The InChIKey is WKDCCSMPNOHQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c10-6-2-4-8-3-1-5-9-7-8/h3,9-10H,1-2,4-7H2.
What are the key properties of 3-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-ol?
3-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-ol is sourced from PubChem (CID 117205813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).