4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride

C10H16ClNO — CID 3064939

IUPAC4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride
SMILESC=CC#CC1(O)CCN(C)CC1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-3-4-5-10(12)6-8-11(2)9-7-10;/h3,12H,1,6-9H2,2H3;1H
InChIKeySSIHESDKACJUDD-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.05
Rot. Bonds

About 4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride

4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride (PubChem CID 3064939) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride
PubChem CID3064939
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride
SMILESC=CC#CC1(O)CCN(C)CC1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-3-4-5-10(12)6-8-11(2)9-7-10;/h3,12H,1,6-9H2,2H3;1H
InChIKeySSIHESDKACJUDD-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride?
The IUPAC name of 4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride (CID 3064939) is 4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride?
The canonical SMILES for 4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride is C=CC#CC1(O)CCN(C)CC1.Cl.
What is the InChIKey of 4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride?
The InChIKey is SSIHESDKACJUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-3-4-5-10(12)6-8-11(2)9-7-10;/h3,12H,1,6-9H2,2H3;1H.
What are the key properties of 4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride?
4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-1-ynyl-1-methylpiperidin-4-ol;hydrochloride is sourced from PubChem (CID 3064939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).