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

C10H19NO — CID 117268676

IUPAC3-(piperidin-2-ylmethyl)but-3-en-1-ol
SMILESC=C(CCO)CC1CCCCN1
InChIInChI=1S/C10H19NO/c1-9(5-7-12)8-10-4-2-3-6-11-10/h10-12H,1-8H2
InChIKeyCVJKMLJBLVFWHI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds4

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

3-(piperidin-2-ylmethyl)but-3-en-1-ol (PubChem CID 117268676) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(piperidin-2-ylmethyl)but-3-en-1-ol.

Molecular Properties

Compound Name3-(piperidin-2-ylmethyl)but-3-en-1-ol
PubChem CID117268676
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(piperidin-2-ylmethyl)but-3-en-1-ol
SMILESC=C(CCO)CC1CCCCN1
InChIInChI=1S/C10H19NO/c1-9(5-7-12)8-10-4-2-3-6-11-10/h10-12H,1-8H2
InChIKeyCVJKMLJBLVFWHI-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
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

2-[2,3-Dihydrofuran-4-yl(fluoro)methyl]piperidine
CID 130579621
2-[(2S,4R)-2-prop-2-enylpiperidin-4-yl]ethanol
CID 101092770
2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol
CID 101092777
2-(Piperidin-2-ylmethyl)prop-2-en-1-ol
CID 117266690
3-Piperidin-3-ylbut-3-en-1-ol
CID 117268453
3-Piperidin-2-ylbut-3-en-1-ol
CID 117268564
3-(Pyrrolidin-2-ylmethyl)but-3-en-1-ol
CID 117268620
3-[(1-Methylpiperidin-2-yl)methyl]but-3-en-1-ol
CID 117268677
3-[(1-Ethylpiperidin-2-yl)methyl]but-3-en-1-ol
CID 117268678
3-[(1-Propan-2-ylpiperidin-2-yl)methyl]but-3-en-1-ol
CID 117268679
3-Methyl-1-(piperidin-2-yl)but-3-en-1-ol
CID 164658444
4-Piperidin-2-ylpent-4-en-1-ol
CID 177610209

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-2-ylmethyl)but-3-en-1-ol?
The IUPAC name of 3-(piperidin-2-ylmethyl)but-3-en-1-ol (CID 117268676) is 3-(piperidin-2-ylmethyl)but-3-en-1-ol.
What is the SMILES notation for 3-(piperidin-2-ylmethyl)but-3-en-1-ol?
The canonical SMILES for 3-(piperidin-2-ylmethyl)but-3-en-1-ol is C=C(CCO)CC1CCCCN1.
What is the InChIKey of 3-(piperidin-2-ylmethyl)but-3-en-1-ol?
The InChIKey is CVJKMLJBLVFWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(5-7-12)8-10-4-2-3-6-11-10/h10-12H,1-8H2.
What are the key properties of 3-(piperidin-2-ylmethyl)but-3-en-1-ol?
3-(piperidin-2-ylmethyl)but-3-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-2-ylmethyl)but-3-en-1-ol is sourced from PubChem (CID 117268676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).