5-piperidin-1-ylpent-2-yn-1-ol

C10H17NO — CID 117265439

IUPAC5-piperidin-1-ylpent-2-yn-1-ol
SMILESOCC#CCCN1CCCCC1
InChIInChI=1S/C10H17NO/c12-10-6-2-5-9-11-7-3-1-4-8-11/h12H,1,3-5,7-10H2
InChIKeyJTNVEJZIBFWCDT-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.86
Rot. Bonds2

About 5-piperidin-1-ylpent-2-yn-1-ol

5-piperidin-1-ylpent-2-yn-1-ol (PubChem CID 117265439) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-piperidin-1-ylpent-2-yn-1-ol.

Molecular Properties

Compound Name5-piperidin-1-ylpent-2-yn-1-ol
PubChem CID117265439
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-piperidin-1-ylpent-2-yn-1-ol
SMILESOCC#CCCN1CCCCC1
InChIInChI=1S/C10H17NO/c12-10-6-2-5-9-11-7-3-1-4-8-11/h12H,1,3-5,7-10H2
InChIKeyJTNVEJZIBFWCDT-UHFFFAOYSA-N
XLogP0.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.86
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

N-methyl-5-piperidin-1-ylpent-2-yn-1-amine
CID 117265206
methyl 5-piperidin-1-ylpent-2-ynoate
CID 117265692
bis(2-piperidin-1-ylethanol);dihydroiodide
CID 175097300
1-[3-[6-(4-pyrrolidin-1-ylbut-1-ynyl)cyclohexa-1,5-dien-1-yl]prop-2-ynyl]pyrrolidine
CID 155111625
methanol;1-propylpiperidine
CID 171515121
1-but-3-ynylazetidine
CID 130164474
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
methoxymethane;2-pyrrolidin-1-ylethanol
CID 142059876
3-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 81326509
1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine
CID 15941902
acetylene;3-piperidin-1-ylpropan-1-ol
CID 162683866
10-piperidin-1-yldecan-1-ol
CID 22218518

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylpent-2-yn-1-ol?
The IUPAC name of 5-piperidin-1-ylpent-2-yn-1-ol (CID 117265439) is 5-piperidin-1-ylpent-2-yn-1-ol.
What is the SMILES notation for 5-piperidin-1-ylpent-2-yn-1-ol?
The canonical SMILES for 5-piperidin-1-ylpent-2-yn-1-ol is OCC#CCCN1CCCCC1.
What is the InChIKey of 5-piperidin-1-ylpent-2-yn-1-ol?
The InChIKey is JTNVEJZIBFWCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-10-6-2-5-9-11-7-3-1-4-8-11/h12H,1,3-5,7-10H2.
What are the key properties of 5-piperidin-1-ylpent-2-yn-1-ol?
5-piperidin-1-ylpent-2-yn-1-ol has a molecular weight of 167.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylpent-2-yn-1-ol is sourced from PubChem (CID 117265439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).