2-(piperidin-4-ylmethyl)but-3-en-1-ol

C10H19NO — CID 142260790

IUPAC2-(piperidin-4-ylmethyl)but-3-en-1-ol
SMILESC=CC(CO)CC1CCNCC1
InChIInChI=1S/C10H19NO/c1-2-9(8-12)7-10-3-5-11-6-4-10/h2,9-12H,1,3-8H2
InChIKeyGEHYVHKZGFGPPV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.17
Rot. Bonds4

About 2-(piperidin-4-ylmethyl)but-3-en-1-ol

2-(piperidin-4-ylmethyl)but-3-en-1-ol (PubChem CID 142260790) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)but-3-en-1-ol.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)but-3-en-1-ol
PubChem CID142260790
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(piperidin-4-ylmethyl)but-3-en-1-ol
SMILESC=CC(CO)CC1CCNCC1
InChIInChI=1S/C10H19NO/c1-2-9(8-12)7-10-3-5-11-6-4-10/h2,9-12H,1,3-8H2
InChIKeyGEHYVHKZGFGPPV-UHFFFAOYSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.17
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

3-But-3-enyl-3-fluoropiperidin-4-ol
CID 175499396
2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethan-1-ol
CID 22825905
3-Prop-2-enylpiperidin-4-ol
CID 55300262
1,2,3,4,4a,5,8,8a-Octahydroquinolin-5-ylmethanol
CID 68199886
2-[(3R)-3-ethenylpiperidin-4-yl]ethanol
CID 70502413
1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol
CID 70502414
1-Piperidin-3-ylbut-3-en-1-ol
CID 80560183
2-Methyl-4-[(pent-4-enylamino)methyl]hexan-1-ol
CID 89126691
[(2S,3S)-3-ethenylpiperidin-2-yl]methanol
CID 89269282
2-Ethenyl-4-methyl-1-(methylamino)pentan-1-ol
CID 90938856
3-But-3-enylpiperidin-4-ol
CID 114451881
3-Piperidin-4-ylbut-3-en-1-ol
CID 117268286

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)but-3-en-1-ol?
The IUPAC name of 2-(piperidin-4-ylmethyl)but-3-en-1-ol (CID 142260790) is 2-(piperidin-4-ylmethyl)but-3-en-1-ol.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)but-3-en-1-ol?
The canonical SMILES for 2-(piperidin-4-ylmethyl)but-3-en-1-ol is C=CC(CO)CC1CCNCC1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)but-3-en-1-ol?
The InChIKey is GEHYVHKZGFGPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-9(8-12)7-10-3-5-11-6-4-10/h2,9-12H,1,3-8H2.
What are the key properties of 2-(piperidin-4-ylmethyl)but-3-en-1-ol?
2-(piperidin-4-ylmethyl)but-3-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)but-3-en-1-ol is sourced from PubChem (CID 142260790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).