1-(2-methylbuta-2,3-dienyl)piperidine

C10H17N — CID 134981932

IUPAC1-(2-methylbuta-2,3-dienyl)piperidine
SMILESC=C=C(C)CN1CCCCC1
InChIInChI=1S/C10H17N/c1-3-10(2)9-11-7-5-4-6-8-11/h1,4-9H2,2H3
InChIKeyJWQULILRVWVSEG-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.20
Rot. Bonds2

About 1-(2-methylbuta-2,3-dienyl)piperidine

1-(2-methylbuta-2,3-dienyl)piperidine (PubChem CID 134981932) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-(2-methylbuta-2,3-dienyl)piperidine.

Molecular Properties

Compound Name1-(2-methylbuta-2,3-dienyl)piperidine
PubChem CID134981932
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-(2-methylbuta-2,3-dienyl)piperidine
SMILESC=C=C(C)CN1CCCCC1
InChIInChI=1S/C10H17N/c1-3-10(2)9-11-7-5-4-6-8-11/h1,4-9H2,2H3
InChIKeyJWQULILRVWVSEG-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbuta-2,3-dienyl)piperidine?
The IUPAC name of 1-(2-methylbuta-2,3-dienyl)piperidine (CID 134981932) is 1-(2-methylbuta-2,3-dienyl)piperidine.
What is the SMILES notation for 1-(2-methylbuta-2,3-dienyl)piperidine?
The canonical SMILES for 1-(2-methylbuta-2,3-dienyl)piperidine is C=C=C(C)CN1CCCCC1.
What is the InChIKey of 1-(2-methylbuta-2,3-dienyl)piperidine?
The InChIKey is JWQULILRVWVSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-10(2)9-11-7-5-4-6-8-11/h1,4-9H2,2H3.
What are the key properties of 1-(2-methylbuta-2,3-dienyl)piperidine?
1-(2-methylbuta-2,3-dienyl)piperidine has a molecular weight of 151.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbuta-2,3-dienyl)piperidine is sourced from PubChem (CID 134981932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).