3-(1-methylpiperidin-4-yl)but-3-en-1-ol

C10H19NO — CID 117268287

IUPAC3-(1-methylpiperidin-4-yl)but-3-en-1-ol
SMILESC=C(CCO)C1CCN(C)CC1
InChIInChI=1S/C10H19NO/c1-9(5-8-12)10-3-6-11(2)7-4-10/h10,12H,1,3-8H2,2H3
InChIKeyAXQLUQYSBFWXGT-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds3

About 3-(1-methylpiperidin-4-yl)but-3-en-1-ol

3-(1-methylpiperidin-4-yl)but-3-en-1-ol (PubChem CID 117268287) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)but-3-en-1-ol.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)but-3-en-1-ol
PubChem CID117268287
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(1-methylpiperidin-4-yl)but-3-en-1-ol
SMILESC=C(CCO)C1CCN(C)CC1
InChIInChI=1S/C10H19NO/c1-9(5-8-12)10-3-6-11(2)7-4-10/h10,12H,1,3-8H2,2H3
InChIKeyAXQLUQYSBFWXGT-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4E)-3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 171478959
[3-Ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 175554839
1-Methyl-3-pent-4-enylpiperidin-2-ol
CID 134859970
4-[[Ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol
CID 20707710
(1-Methyl-3-methylidenepiperidin-4-yl)methanol
CID 68317478
[Ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol
CID 89017595
(Z)-[(5R)-1-ethyl-5-propylpiperidin-3-ylidene]methanol
CID 89323926
(Z)-[(5R)-1-methyl-5-propylpiperidin-3-ylidene]methanol
CID 89323961
2-(1-Methylpiperidin-4-yl)prop-2-en-1-ol
CID 117266644
3-Piperidin-4-ylbut-3-en-1-ol
CID 117268286
1-Ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol
CID 123603830
5-[(4-Ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol
CID 123717552

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)but-3-en-1-ol?
The IUPAC name of 3-(1-methylpiperidin-4-yl)but-3-en-1-ol (CID 117268287) is 3-(1-methylpiperidin-4-yl)but-3-en-1-ol.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)but-3-en-1-ol?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)but-3-en-1-ol is C=C(CCO)C1CCN(C)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)but-3-en-1-ol?
The InChIKey is AXQLUQYSBFWXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(5-8-12)10-3-6-11(2)7-4-10/h10,12H,1,3-8H2,2H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)but-3-en-1-ol?
3-(1-methylpiperidin-4-yl)but-3-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)but-3-en-1-ol is sourced from PubChem (CID 117268287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).