1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine

C16H30N2 — CID 70027197

IUPAC1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine
SMILESCC=C(CCN1CCCCC1)CN1CCCCC1
InChIInChI=1S/C16H30N2/c1-2-16(15-18-12-7-4-8-13-18)9-14-17-10-5-3-6-11-17/h2H,3-15H2,1H3
InChIKeyGZAAWUQLMPPMOL-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.29
Rot. Bonds5

About 1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine

1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine (PubChem CID 70027197) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine.

Molecular Properties

Compound Name1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine
PubChem CID70027197
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine
SMILESCC=C(CCN1CCCCC1)CN1CCCCC1
InChIInChI=1S/C16H30N2/c1-2-16(15-18-12-7-4-8-13-18)9-14-17-10-5-3-6-11-17/h2H,3-15H2,1H3
InChIKeyGZAAWUQLMPPMOL-UHFFFAOYSA-N
XLogP3.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine?
The IUPAC name of 1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine (CID 70027197) is 1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine.
What is the SMILES notation for 1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine?
The canonical SMILES for 1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine is CC=C(CCN1CCCCC1)CN1CCCCC1.
What is the InChIKey of 1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine?
The InChIKey is GZAAWUQLMPPMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-16(15-18-12-7-4-8-13-18)9-14-17-10-5-3-6-11-17/h2H,3-15H2,1H3.
What are the key properties of 1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine?
1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine has a molecular weight of 250.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine is sourced from PubChem (CID 70027197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).