(3R)-3-ethynylpiperidine

C7H11N — CID 86307646

IUPAC(3R)-3-ethynylpiperidine
SMILESC#C[C@H]1CCCNC1
InChIInChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h1,7-8H,3-6H2/t7-/m0/s1
InChIKeyPJNBXBSBAMXYKY-ZETCQYMHSA-N
MW109.17 g/mol
LogP0.62
Rot. Bonds

About (3R)-3-ethynylpiperidine

(3R)-3-ethynylpiperidine (PubChem CID 86307646) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (3R)-3-ethynylpiperidine.

Molecular Properties

Compound Name(3R)-3-ethynylpiperidine
PubChem CID86307646
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(3R)-3-ethynylpiperidine
SMILESC#C[C@H]1CCCNC1
InChIInChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h1,7-8H,3-6H2/t7-/m0/s1
InChIKeyPJNBXBSBAMXYKY-ZETCQYMHSA-N
XLogP0.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.62
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

piperidine-3-carbonitrile;hydrochloride
CID 53400639
3-piperidin-3-ylprop-2-ynal
CID 117265475
3-(3-methylbut-1-ynyl)piperidine
CID 118967292
4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one
CID 168500194
3-(2-phenylethynyl)piperidine
CID 71302817
magnesium;ethynylcyclobutane;hydride;hydrobromide
CID 173220731
3-prop-2-ynoxypiperidine
CID 45075367
1-(3-piperidin-3-ylprop-2-ynyl)piperazine
CID 117269532
1-(azepan-3-yl)-4-ethynylpyrrolidin-2-one
CID 168500126
(3R)-3-tert-butylpiperidine
CID 59772800
di(piperidin-3-yl)methanone
CID 69183047
4-chloroazepane
CID 21287479

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethynylpiperidine?
The IUPAC name of (3R)-3-ethynylpiperidine (CID 86307646) is (3R)-3-ethynylpiperidine.
What is the SMILES notation for (3R)-3-ethynylpiperidine?
The canonical SMILES for (3R)-3-ethynylpiperidine is C#C[C@H]1CCCNC1.
What is the InChIKey of (3R)-3-ethynylpiperidine?
The InChIKey is PJNBXBSBAMXYKY-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h1,7-8H,3-6H2/t7-/m0/s1.
What are the key properties of (3R)-3-ethynylpiperidine?
(3R)-3-ethynylpiperidine has a molecular weight of 109.17 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethynylpiperidine is sourced from PubChem (CID 86307646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).