1-but-2-en-2-ylpiperidine

C9H17N — CID 54314461

IUPAC1-but-2-en-2-ylpiperidine
SMILESCC=C(C)N1CCCCC1
InChIInChI=1S/C9H17N/c1-3-9(2)10-7-5-4-6-8-10/h3H,4-8H2,1-2H3
InChIKeySNEIDIQHFLMRJO-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.40
Rot. Bonds1

About 1-but-2-en-2-ylpiperidine

1-but-2-en-2-ylpiperidine (PubChem CID 54314461) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-but-2-en-2-ylpiperidine.

Molecular Properties

Compound Name1-but-2-en-2-ylpiperidine
PubChem CID54314461
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-but-2-en-2-ylpiperidine
SMILESCC=C(C)N1CCCCC1
InChIInChI=1S/C9H17N/c1-3-9(2)10-7-5-4-6-8-10/h3H,4-8H2,1-2H3
InChIKeySNEIDIQHFLMRJO-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-ylpiperidine?
The IUPAC name of 1-but-2-en-2-ylpiperidine (CID 54314461) is 1-but-2-en-2-ylpiperidine.
What is the SMILES notation for 1-but-2-en-2-ylpiperidine?
The canonical SMILES for 1-but-2-en-2-ylpiperidine is CC=C(C)N1CCCCC1.
What is the InChIKey of 1-but-2-en-2-ylpiperidine?
The InChIKey is SNEIDIQHFLMRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-9(2)10-7-5-4-6-8-10/h3H,4-8H2,1-2H3.
What are the key properties of 1-but-2-en-2-ylpiperidine?
1-but-2-en-2-ylpiperidine has a molecular weight of 139.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-ylpiperidine is sourced from PubChem (CID 54314461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).