4-ethynylpiperidin-4-ol

C7H11NO — CID 19895580

IUPAC4-ethynylpiperidin-4-ol
SMILESC#CC1(O)CCNCC1
InChIInChI=1S/C7H11NO/c1-2-7(9)3-5-8-6-4-7/h1,8-9H,3-6H2
InChIKeyGVZFMFFUAZKMOB-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.27
Rot. Bonds

About 4-ethynylpiperidin-4-ol

4-ethynylpiperidin-4-ol (PubChem CID 19895580) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-ethynylpiperidin-4-ol.

Molecular Properties

Compound Name4-ethynylpiperidin-4-ol
PubChem CID19895580
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-ethynylpiperidin-4-ol
SMILESC#CC1(O)CCNCC1
InChIInChI=1S/C7H11NO/c1-2-7(9)3-5-8-6-4-7/h1,8-9H,3-6H2
InChIKeyGVZFMFFUAZKMOB-UHFFFAOYSA-N
XLogP-0.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.27
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

4-Methylpiperidin-4-ol
CID 15649174
3-Methyl-1-(piperidin-1-yl)oct-4-yn-3-ol--hydrogen chloride (1/1)
CID 40725
4-Methylpiperidin-4-ol hydrochloride
CID 21949295
4-Ethylpiperidin-4-ol hydrochloride
CID 51358292
4-Ethynylpiperidin-4-ol hydrochloride
CID 126802823
4-(2-Bromoethynyl)piperidin-4-ol hydrochloride
CID 165990520
4-Ethylpiperidin-4-ol
CID 22061347
3-Ethynylpiperidin-3-ol
CID 53687433
4-(Fluoromethyl)piperidin-4-ol
CID 66827549
3-Fluoro-4-methyl-piperidin-4-ol
CID 90176624
4-Piperidinol, 3-fluoro-4-methyl-, (3R,4S)-rel-
CID 90176710
Cis-3-fluoro-4-methylpiperidin-4-ol
CID 90183893

Frequently Asked Questions

What is the IUPAC name of 4-ethynylpiperidin-4-ol?
The IUPAC name of 4-ethynylpiperidin-4-ol (CID 19895580) is 4-ethynylpiperidin-4-ol.
What is the SMILES notation for 4-ethynylpiperidin-4-ol?
The canonical SMILES for 4-ethynylpiperidin-4-ol is C#CC1(O)CCNCC1.
What is the InChIKey of 4-ethynylpiperidin-4-ol?
The InChIKey is GVZFMFFUAZKMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-7(9)3-5-8-6-4-7/h1,8-9H,3-6H2.
What are the key properties of 4-ethynylpiperidin-4-ol?
4-ethynylpiperidin-4-ol has a molecular weight of 125.17 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynylpiperidin-4-ol is sourced from PubChem (CID 19895580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).