3-(2-phenylethynyl)piperidine

C13H15N — CID 71302817

IUPAC3-(2-phenylethynyl)piperidine
SMILESC(#CC1CCCNC1)c1ccccc1
InChIInChI=1S/C13H15N/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h1-3,5-6,13-14H,4,7,10-11H2
InChIKeyHIVQVYBVQSRALM-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.04
Rot. Bonds

About 3-(2-phenylethynyl)piperidine

3-(2-phenylethynyl)piperidine (PubChem CID 71302817) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(2-phenylethynyl)piperidine.

Molecular Properties

Compound Name3-(2-phenylethynyl)piperidine
PubChem CID71302817
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3-(2-phenylethynyl)piperidine
SMILESC(#CC1CCCNC1)c1ccccc1
InChIInChI=1S/C13H15N/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h1-3,5-6,13-14H,4,7,10-11H2
InChIKeyHIVQVYBVQSRALM-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-chlorophenyl)ethynyl]piperidine
CID 141169044
2-phenylethynylcyclooctane
CID 71426639
4-(2-phenylethynyl)piperidine;hydrochloride
CID 57421840
2-[2-[(3S)-piperidin-3-yl]ethynyl]quinazoline
CID 90762543
2-[2-[(3R)-piperidin-3-yl]ethynyl]quinazoline
CID 91162237
4-(3-piperidin-3-ylprop-2-ynyl)aniline
CID 54247628
3-piperidin-3-ylprop-2-ynal
CID 117265475
2-[(1S)-cyclohex-3-en-1-yl]ethynylbenzene
CID 162402012
N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide
CID 106627592
3-(3-methylbut-1-ynyl)piperidine
CID 118967292
N-(3-methyl-4-phenoxyphenyl)-6-[2-[(3S)-piperidin-3-yl]ethynyl]quinazolin-4-amine
CID 22985695
(3R)-3-ethynylpiperidine
CID 86307646

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethynyl)piperidine?
The IUPAC name of 3-(2-phenylethynyl)piperidine (CID 71302817) is 3-(2-phenylethynyl)piperidine.
What is the SMILES notation for 3-(2-phenylethynyl)piperidine?
The canonical SMILES for 3-(2-phenylethynyl)piperidine is C(#CC1CCCNC1)c1ccccc1.
What is the InChIKey of 3-(2-phenylethynyl)piperidine?
The InChIKey is HIVQVYBVQSRALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h1-3,5-6,13-14H,4,7,10-11H2.
What are the key properties of 3-(2-phenylethynyl)piperidine?
3-(2-phenylethynyl)piperidine has a molecular weight of 185.27 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethynyl)piperidine is sourced from PubChem (CID 71302817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).