1-cyclopentyl-4-ethynylpiperidine

C12H19N — CID 53364687

IUPAC1-cyclopentyl-4-ethynylpiperidine
SMILESC#CC1CCN(C2CCCC2)CC1
InChIInChI=1S/C12H19N/c1-2-11-7-9-13(10-8-11)12-5-3-4-6-12/h1,11-12H,3-10H2
InChIKeyLLVSYSJUYXAXHI-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.27
Rot. Bonds1

About 1-cyclopentyl-4-ethynylpiperidine

1-cyclopentyl-4-ethynylpiperidine (PubChem CID 53364687) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-cyclopentyl-4-ethynylpiperidine.

Molecular Properties

Compound Name1-cyclopentyl-4-ethynylpiperidine
PubChem CID53364687
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-cyclopentyl-4-ethynylpiperidine
SMILESC#CC1CCN(C2CCCC2)CC1
InChIInChI=1S/C12H19N/c1-2-11-7-9-13(10-8-11)12-5-3-4-6-12/h1,11-12H,3-10H2
InChIKeyLLVSYSJUYXAXHI-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.27
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-cyclopentyl-4-ethynylpiperidine?
The IUPAC name of 1-cyclopentyl-4-ethynylpiperidine (CID 53364687) is 1-cyclopentyl-4-ethynylpiperidine.
What is the SMILES notation for 1-cyclopentyl-4-ethynylpiperidine?
The canonical SMILES for 1-cyclopentyl-4-ethynylpiperidine is C#CC1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-ethynylpiperidine?
The InChIKey is LLVSYSJUYXAXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-11-7-9-13(10-8-11)12-5-3-4-6-12/h1,11-12H,3-10H2.
What are the key properties of 1-cyclopentyl-4-ethynylpiperidine?
1-cyclopentyl-4-ethynylpiperidine has a molecular weight of 177.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-ethynylpiperidine is sourced from PubChem (CID 53364687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).