1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine

C18H19NO — CID 86079711

IUPAC1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine
SMILESC(#CC(c1ccco1)N1CCCCC1)c1ccccc1
InChIInChI=1S/C18H19NO/c1-3-8-16(9-4-1)11-12-17(18-10-7-15-20-18)19-13-5-2-6-14-19/h1,3-4,7-10,15,17H,2,5-6,13-14H2
InChIKeyQQPUQIVTMKRZCG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.86
Rot. Bonds2

About 1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine

1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine (PubChem CID 86079711) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine.

Molecular Properties

Compound Name1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine
PubChem CID86079711
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine
SMILESC(#CC(c1ccco1)N1CCCCC1)c1ccccc1
InChIInChI=1S/C18H19NO/c1-3-8-16(9-4-1)11-12-17(18-10-7-15-20-18)19-13-5-2-6-14-19/h1,3-4,7-10,15,17H,2,5-6,13-14H2
InChIKeyQQPUQIVTMKRZCG-UHFFFAOYSA-N
XLogP3.86
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-phenyl-1-(4-propan-2-ylphenyl)prop-2-ynyl]pyrrolidine
CID 142730752
(2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile
CID 685825
1-(4-methyl-1-phenylpent-1-yn-3-yl)pyrrolidine
CID 3360864
1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine
CID 101406137
1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine
CID 142730750
1-[[4-(2-phenylethynyl)phenyl]-piperidin-1-ylmethyl]piperidine
CID 71395677
1-(1,4-diphenylbut-3-yn-2-yl)pyrrolidine
CID 100954727
4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 869202
3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
CID 102055055
(1S)-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-phenylethanol
CID 2106497
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide
CID 35354735
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine?
The IUPAC name of 1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine (CID 86079711) is 1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine.
What is the SMILES notation for 1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine?
The canonical SMILES for 1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine is C(#CC(c1ccco1)N1CCCCC1)c1ccccc1.
What is the InChIKey of 1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine?
The InChIKey is QQPUQIVTMKRZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-8-16(9-4-1)11-12-17(18-10-7-15-20-18)19-13-5-2-6-14-19/h1,3-4,7-10,15,17H,2,5-6,13-14H2.
What are the key properties of 1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine?
1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine has a molecular weight of 265.36 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine is sourced from PubChem (CID 86079711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).