4-ethynyl-3-methylpiperidin-4-ol

C8H13NO — CID 114501937

IUPAC4-ethynyl-3-methylpiperidin-4-ol
SMILESC#CC1(O)CCNCC1C
InChIInChI=1S/C8H13NO/c1-3-8(10)4-5-9-6-7(8)2/h1,7,9-10H,4-6H2,2H3
InChIKeyQPEDSCZCVMIGMG-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.02
Rot. Bonds

About 4-ethynyl-3-methylpiperidin-4-ol

4-ethynyl-3-methylpiperidin-4-ol (PubChem CID 114501937) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-ethynyl-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-ethynyl-3-methylpiperidin-4-ol
PubChem CID114501937
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-ethynyl-3-methylpiperidin-4-ol
SMILESC#CC1(O)CCNCC1C
InChIInChI=1S/C8H13NO/c1-3-8(10)4-5-9-6-7(8)2/h1,7,9-10H,4-6H2,2H3
InChIKeyQPEDSCZCVMIGMG-UHFFFAOYSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3,4-dimethylpiperidin-4-ol
CID 153404832
4-ethynylpiperidin-4-ol
CID 19895580
3,4-dimethylazepan-4-ol;hydrochloride
CID 118798621
6-methyl-2,8-diazaspiro[4.5]decane
CID 83680090
4,4,10-trimethyl-8-azaspiro[4.5]decane
CID 79863004
3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol
CID 114501859
cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol
CID 134856059
4-ethynyl-2-methylpiperidin-4-ol
CID 45079343
5,9-dimethyl-3-azaspiro[5.5]undecane
CID 79320887
2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile
CID 114502219
4-(4-chlorophenyl)-3-methylpiperidin-4-ol
CID 23137070
4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114501801

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-3-methylpiperidin-4-ol?
The IUPAC name of 4-ethynyl-3-methylpiperidin-4-ol (CID 114501937) is 4-ethynyl-3-methylpiperidin-4-ol.
What is the SMILES notation for 4-ethynyl-3-methylpiperidin-4-ol?
The canonical SMILES for 4-ethynyl-3-methylpiperidin-4-ol is C#CC1(O)CCNCC1C.
What is the InChIKey of 4-ethynyl-3-methylpiperidin-4-ol?
The InChIKey is QPEDSCZCVMIGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-8(10)4-5-9-6-7(8)2/h1,7,9-10H,4-6H2,2H3.
What are the key properties of 4-ethynyl-3-methylpiperidin-4-ol?
4-ethynyl-3-methylpiperidin-4-ol has a molecular weight of 139.20 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-3-methylpiperidin-4-ol is sourced from PubChem (CID 114501937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).