1-[(E)-3,3-dimethylbut-1-enyl]piperidine

C11H21N — CID 12823419

IUPAC1-[(E)-3,3-dimethylbut-1-enyl]piperidine
SMILESCC(C)(C)/C=C/N1CCCCC1
InChIInChI=1S/C11H21N/c1-11(2,3)7-10-12-8-5-4-6-9-12/h7,10H,4-6,8-9H2,1-3H3/b10-7+
InChIKeyQUUJIMPFICBWLK-JXMROGBWSA-N
MW167.30 g/mol
LogP3.03
Rot. Bonds1

About 1-[(E)-3,3-dimethylbut-1-enyl]piperidine

1-[(E)-3,3-dimethylbut-1-enyl]piperidine (PubChem CID 12823419) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-[(E)-3,3-dimethylbut-1-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylbut-1-enyl]piperidine
PubChem CID12823419
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-[(E)-3,3-dimethylbut-1-enyl]piperidine
SMILESCC(C)(C)/C=C/N1CCCCC1
InChIInChI=1S/C11H21N/c1-11(2,3)7-10-12-8-5-4-6-9-12/h7,10H,4-6,8-9H2,1-3H3/b10-7+
InChIKeyQUUJIMPFICBWLK-JXMROGBWSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]piperidine?
The IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]piperidine (CID 12823419) is 1-[(E)-3,3-dimethylbut-1-enyl]piperidine.
What is the SMILES notation for 1-[(E)-3,3-dimethylbut-1-enyl]piperidine?
The canonical SMILES for 1-[(E)-3,3-dimethylbut-1-enyl]piperidine is CC(C)(C)/C=C/N1CCCCC1.
What is the InChIKey of 1-[(E)-3,3-dimethylbut-1-enyl]piperidine?
The InChIKey is QUUJIMPFICBWLK-JXMROGBWSA-N. The full InChI is InChI=1S/C11H21N/c1-11(2,3)7-10-12-8-5-4-6-9-12/h7,10H,4-6,8-9H2,1-3H3/b10-7+.
What are the key properties of 1-[(E)-3,3-dimethylbut-1-enyl]piperidine?
1-[(E)-3,3-dimethylbut-1-enyl]piperidine has a molecular weight of 167.30 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-dimethylbut-1-enyl]piperidine is sourced from PubChem (CID 12823419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).