4-ethynyl-1,3,5-trimethylpiperidin-4-ol

C10H17NO — CID 3541211

IUPAC4-ethynyl-1,3,5-trimethylpiperidin-4-ol
SMILESC#CC1(O)C(C)CN(C)CC1C
InChIInChI=1S/C10H17NO/c1-5-10(12)8(2)6-11(4)7-9(10)3/h1,8-9,12H,6-7H2,2-4H3
InChIKeyMEUPVUHDKKWHNM-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.57
Rot. Bonds

About 4-ethynyl-1,3,5-trimethylpiperidin-4-ol

4-ethynyl-1,3,5-trimethylpiperidin-4-ol (PubChem CID 3541211) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-ethynyl-1,3,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-ethynyl-1,3,5-trimethylpiperidin-4-ol
PubChem CID3541211
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-ethynyl-1,3,5-trimethylpiperidin-4-ol
SMILESC#CC1(O)C(C)CN(C)CC1C
InChIInChI=1S/C10H17NO/c1-5-10(12)8(2)6-11(4)7-9(10)3/h1,8-9,12H,6-7H2,2-4H3
InChIKeyMEUPVUHDKKWHNM-UHFFFAOYSA-N
XLogP0.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.57
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-Ethynyl-1-methylpiperidin-4-ol
CID 1419099
2-Methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol
CID 692210
4-Tert-butyl-1-methyl-piperidin-4-ol
CID 388489
1-Methyl-4-(2-methylpropyl)piperidin-4-ol
CID 23395567
4-Hexyn-3-ol, 3-methyl-6-piperidino-
CID 177137
3-Ethyl-6-(1-piperidinyl)-4-hexyn-3-ol
CID 770249
4-(3-Hydroxy-3-methylbut-1-ynyl)-1-methylpiperidin-4-ol
CID 12229736
Pent-3-yn-2-ol, 2-cyclopropyl-5-(1-piperidyl)-
CID 578823
1-Tert-butyl-4-ethynyl-3-methylpiperidin-4-ol
CID 4254918
4-Ethynyl-1,2,5-trimethylpiperidin-4-ol
CID 3761845
1-(But-3-yn-1-yl)-4-methylpiperidin-4-ol
CID 114286616
2,2,3-Trimethyl-6-piperidylhex-4-yn-3-ol
CID 2840211

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1,3,5-trimethylpiperidin-4-ol?
The IUPAC name of 4-ethynyl-1,3,5-trimethylpiperidin-4-ol (CID 3541211) is 4-ethynyl-1,3,5-trimethylpiperidin-4-ol.
What is the SMILES notation for 4-ethynyl-1,3,5-trimethylpiperidin-4-ol?
The canonical SMILES for 4-ethynyl-1,3,5-trimethylpiperidin-4-ol is C#CC1(O)C(C)CN(C)CC1C.
What is the InChIKey of 4-ethynyl-1,3,5-trimethylpiperidin-4-ol?
The InChIKey is MEUPVUHDKKWHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-10(12)8(2)6-11(4)7-9(10)3/h1,8-9,12H,6-7H2,2-4H3.
What are the key properties of 4-ethynyl-1,3,5-trimethylpiperidin-4-ol?
4-ethynyl-1,3,5-trimethylpiperidin-4-ol has a molecular weight of 167.25 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1,3,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 3541211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).