1-pent-2-ynylpiperidine

C10H17N — CID 21354788

IUPAC1-pent-2-ynylpiperidine
SMILESCCC#CCN1CCCCC1
InChIInChI=1S/C10H17N/c1-2-3-5-8-11-9-6-4-7-10-11/h2,4,6-10H2,1H3
InChIKeyKNWTZDOLSZDTID-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.89
Rot. Bonds1

About 1-pent-2-ynylpiperidine

1-pent-2-ynylpiperidine (PubChem CID 21354788) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-pent-2-ynylpiperidine.

Molecular Properties

Compound Name1-pent-2-ynylpiperidine
PubChem CID21354788
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-pent-2-ynylpiperidine
SMILESCCC#CCN1CCCCC1
InChIInChI=1S/C10H17N/c1-2-3-5-8-11-9-6-4-7-10-11/h2,4,6-10H2,1H3
InChIKeyKNWTZDOLSZDTID-UHFFFAOYSA-N
XLogP1.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pent-2-ynylpiperidine?
The IUPAC name of 1-pent-2-ynylpiperidine (CID 21354788) is 1-pent-2-ynylpiperidine.
What is the SMILES notation for 1-pent-2-ynylpiperidine?
The canonical SMILES for 1-pent-2-ynylpiperidine is CCC#CCN1CCCCC1.
What is the InChIKey of 1-pent-2-ynylpiperidine?
The InChIKey is KNWTZDOLSZDTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-5-8-11-9-6-4-7-10-11/h2,4,6-10H2,1H3.
What are the key properties of 1-pent-2-ynylpiperidine?
1-pent-2-ynylpiperidine has a molecular weight of 151.25 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-2-ynylpiperidine is sourced from PubChem (CID 21354788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).