1-hex-1-ynylpiperidine

C11H19N — CID 134987420

IUPAC1-hex-1-ynylpiperidine
SMILESCCCCC#CN1CCCCC1
InChIInChI=1S/C11H19N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-5,7-8,10-11H2,1H3
InChIKeyNFFDXCYKKDVQMB-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.62
Rot. Bonds2

About 1-hex-1-ynylpiperidine

1-hex-1-ynylpiperidine (PubChem CID 134987420) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-hex-1-ynylpiperidine.

Molecular Properties

Compound Name1-hex-1-ynylpiperidine
PubChem CID134987420
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-hex-1-ynylpiperidine
SMILESCCCCC#CN1CCCCC1
InChIInChI=1S/C11H19N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-5,7-8,10-11H2,1H3
InChIKeyNFFDXCYKKDVQMB-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3,3-dimethyl-1-oct-1-ynylazetidine
CID 134922798
pentadeca-5,10-diyne
CID 15530767
(Hex-1-yn-1-yl)silane
CID 13112953
1-fluorohex-1-yne
CID 87549340
1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine
CID 11723089
CID 90985110
CID 90985110
oct-3-yne-1-thiol
CID 150444004
2-hept-1-ynyl-1-methylazepane
CID 15627450
1-piperidin-1-ylhexane-1-thiol
CID 135368476
tetradeca-4,9-diyne
CID 173328648
2-methylnon-2-en-4-yn-3-ylcyclohexane
CID 102381380
1-oct-3-yn-2-ylcyclohexan-1-ol
CID 11805930

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-ynylpiperidine?
The IUPAC name of 1-hex-1-ynylpiperidine (CID 134987420) is 1-hex-1-ynylpiperidine.
What is the SMILES notation for 1-hex-1-ynylpiperidine?
The canonical SMILES for 1-hex-1-ynylpiperidine is CCCCC#CN1CCCCC1.
What is the InChIKey of 1-hex-1-ynylpiperidine?
The InChIKey is NFFDXCYKKDVQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-5,7-8,10-11H2,1H3.
What are the key properties of 1-hex-1-ynylpiperidine?
1-hex-1-ynylpiperidine has a molecular weight of 165.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-ynylpiperidine is sourced from PubChem (CID 134987420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).