7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol

C14H25NO2 — CID 174081416

IUPAC7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol
SMILESCC#CC(O)CCCOCCN1CCCCC1
InChIInChI=1S/C14H25NO2/c1-2-7-14(16)8-6-12-17-13-11-15-9-4-3-5-10-15/h14,16H,3-6,8-13H2,1H3
InChIKeyAADRJDWJSNGQBS-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.65
Rot. Bonds7

About 7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol

7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol (PubChem CID 174081416) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol.

Molecular Properties

Compound Name7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol
PubChem CID174081416
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol
SMILESCC#CC(O)CCCOCCN1CCCCC1
InChIInChI=1S/C14H25NO2/c1-2-7-14(16)8-6-12-17-13-11-15-9-4-3-5-10-15/h14,16H,3-6,8-13H2,1H3
InChIKeyAADRJDWJSNGQBS-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol
CID 174081613
1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
CID 142390245
N-methyl-3-(2-piperidin-1-ylethoxy)propan-1-amine
CID 62459312
1-[3-(2-piperidin-1-ylethoxy)propylamino]pent-3-yn-2-one
CID 174081604
1-(7-piperidin-1-ylheptoxy)pent-3-yn-2-one
CID 174081540
5-(2-piperidin-1-ylethoxy)-N-propan-2-ylpentan-1-amine
CID 55076897
1-(2-butoxyethyl)-4-(2-chloroethyl)piperazine
CID 63386670
(2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol
CID 40530981
1-(2-ethoxyethyl)piperidine
CID 22622871
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651

Frequently Asked Questions

What is the IUPAC name of 7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol?
The IUPAC name of 7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol (CID 174081416) is 7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol.
What is the SMILES notation for 7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol?
The canonical SMILES for 7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol is CC#CC(O)CCCOCCN1CCCCC1.
What is the InChIKey of 7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol?
The InChIKey is AADRJDWJSNGQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-7-14(16)8-6-12-17-13-11-15-9-4-3-5-10-15/h14,16H,3-6,8-13H2,1H3.
What are the key properties of 7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol?
7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol has a molecular weight of 239.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol is sourced from PubChem (CID 174081416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).