4-but-3-enyl-1-methylpiperidin-4-ol

C10H19NO — CID 20622649

IUPAC4-but-3-enyl-1-methylpiperidin-4-ol
SMILESC=CCCC1(O)CCN(C)CC1
InChIInChI=1S/C10H19NO/c1-3-4-5-10(12)6-8-11(2)9-7-10/h3,12H,1,4-9H2,2H3
InChIKeyXZANFIJXCFHPIR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds3

About 4-but-3-enyl-1-methylpiperidin-4-ol

4-but-3-enyl-1-methylpiperidin-4-ol (PubChem CID 20622649) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-but-3-enyl-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-but-3-enyl-1-methylpiperidin-4-ol
PubChem CID20622649
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-but-3-enyl-1-methylpiperidin-4-ol
SMILESC=CCCC1(O)CCN(C)CC1
InChIInChI=1S/C10H19NO/c1-3-4-5-10(12)6-8-11(2)9-7-10/h3,12H,1,4-9H2,2H3
InChIKeyXZANFIJXCFHPIR-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
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

1-Methyl-4-(prop-2-en-1-yl)piperidin-4-ol
CID 1506157
1-Methyl-4-vinylpiperidin-4-ol
CID 10374544
4-(4,4-Difluorobut-3-enyl)-1-methylpiperidin-4-ol
CID 146582324
1-Methyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol
CID 146582360
4-[(Z)-4-fluoro-4-phosphanylbut-3-enyl]-1-methylpiperidin-4-ol
CID 146582639
1-Methyl-4-(3,4,4-trifluorobut-3-enyl)piperidin-4-ol
CID 146582689
5-Trimethyl-4-vinylpiperid-4-ol
CID 129787673
1-Allyl-4-ethyl-2,5-dimethyl-4-piperidinol
CID 129807415
1-Methyl-4-(pent-4-en-1-yl)piperidin-4-ol
CID 167993486
1-Hept-6-en-2-yl-4-(trifluoromethyl)piperidin-4-ol
CID 109967366
4-Methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol
CID 3317216
1,2,5-Trimethyl-4-(prop-2-en-1-yl)piperidin-4-ol
CID 4912825

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-1-methylpiperidin-4-ol?
The IUPAC name of 4-but-3-enyl-1-methylpiperidin-4-ol (CID 20622649) is 4-but-3-enyl-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-but-3-enyl-1-methylpiperidin-4-ol?
The canonical SMILES for 4-but-3-enyl-1-methylpiperidin-4-ol is C=CCCC1(O)CCN(C)CC1.
What is the InChIKey of 4-but-3-enyl-1-methylpiperidin-4-ol?
The InChIKey is XZANFIJXCFHPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-10(12)6-8-11(2)9-7-10/h3,12H,1,4-9H2,2H3.
What are the key properties of 4-but-3-enyl-1-methylpiperidin-4-ol?
4-but-3-enyl-1-methylpiperidin-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-1-methylpiperidin-4-ol is sourced from PubChem (CID 20622649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).