1-ethynyl-4-methylpiperidin-4-ol

C8H13NO — CID 143256733

IUPAC1-ethynyl-4-methylpiperidin-4-ol
SMILESC#CN1CCC(C)(O)CC1
InChIInChI=1S/C8H13NO/c1-3-9-6-4-8(2,10)5-7-9/h1,10H,4-7H2,2H3
InChIKeyUBISTFSSBHGOOL-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.42
Rot. Bonds

About 1-ethynyl-4-methylpiperidin-4-ol

1-ethynyl-4-methylpiperidin-4-ol (PubChem CID 143256733) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-ethynyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-ethynyl-4-methylpiperidin-4-ol
PubChem CID143256733
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-ethynyl-4-methylpiperidin-4-ol
SMILESC#CN1CCC(C)(O)CC1
InChIInChI=1S/C8H13NO/c1-3-9-6-4-8(2,10)5-7-9/h1,10H,4-7H2,2H3
InChIKeyUBISTFSSBHGOOL-UHFFFAOYSA-N
XLogP0.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol
CID 107407041
3-(4-hydroxy-4-methylpiperidin-1-yl)propanenitrile
CID 115825972
acetylene;1-methylcyclohexan-1-ol
CID 142432034
5-methyl-1-phosphanylazocan-5-ol
CID 137426005
1-(2-hydroxypropyl)-4-methylpiperidin-4-ol
CID 81103491
1-(cyclopropylmethyl)-4-methylpiperidin-4-ol
CID 114286475
N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81116179
lithium;hydride;1-methylcyclobutan-1-ol
CID 173114997
lithium 1-methylcyclopentan-1-ol
CID 18764027
1-(3-chloropropyl)-4-methylazepan-4-ol
CID 107407609
1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid
CID 81114915

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-4-methylpiperidin-4-ol?
The IUPAC name of 1-ethynyl-4-methylpiperidin-4-ol (CID 143256733) is 1-ethynyl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-ethynyl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-ethynyl-4-methylpiperidin-4-ol is C#CN1CCC(C)(O)CC1.
What is the InChIKey of 1-ethynyl-4-methylpiperidin-4-ol?
The InChIKey is UBISTFSSBHGOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-9-6-4-8(2,10)5-7-9/h1,10H,4-7H2,2H3.
What are the key properties of 1-ethynyl-4-methylpiperidin-4-ol?
1-ethynyl-4-methylpiperidin-4-ol has a molecular weight of 139.20 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 143256733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).