4-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride

C10H18ClNO — CID 6603121

IUPAC4-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride
SMILESC#CC1(O)CC(C)N(C)C(C)C1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-5-10(12)6-8(2)11(4)9(3)7-10;/h1,8-9,12H,6-7H2,2-4H3;1H
InChIKeyXNRCBCDQVKUGSA-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.28
Rot. Bonds

About 4-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride

4-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride (PubChem CID 6603121) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 4-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride
PubChem CID6603121
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name4-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride
SMILESC#CC1(O)CC(C)N(C)C(C)C1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-5-10(12)6-8(2)11(4)9(3)7-10;/h1,8-9,12H,6-7H2,2-4H3;1H
InChIKeyXNRCBCDQVKUGSA-UHFFFAOYSA-N
XLogP1.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.28
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-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride?
The IUPAC name of 4-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride (CID 6603121) is 4-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride?
The canonical SMILES for 4-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride is C#CC1(O)CC(C)N(C)C(C)C1.Cl.
What is the InChIKey of 4-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride?
The InChIKey is XNRCBCDQVKUGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.ClH/c1-5-10(12)6-8(2)11(4)9(3)7-10;/h1,8-9,12H,6-7H2,2-4H3;1H.
What are the key properties of 4-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride?
4-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride has a molecular weight of 203.71 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1,2,6-trimethylpiperidin-4-ol;hydrochloride is sourced from PubChem (CID 6603121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).