1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine

C12H19N — CID 12986626

IUPAC1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine
SMILESC1=CC(CCN2CCCCC2)=CC1
InChIInChI=1S/C12H19N/c1-4-9-13(10-5-1)11-8-12-6-2-3-7-12/h2,6-7H,1,3-5,8-11H2
InChIKeyYHJLLIYYBSUUMQ-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.75
Rot. Bonds3

About 1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine

1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine (PubChem CID 12986626) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine.

Molecular Properties

Compound Name1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine
PubChem CID12986626
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine
SMILESC1=CC(CCN2CCCCC2)=CC1
InChIInChI=1S/C12H19N/c1-4-9-13(10-5-1)11-8-12-6-2-3-7-12/h2,6-7H,1,3-5,8-11H2
InChIKeyYHJLLIYYBSUUMQ-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine?
The IUPAC name of 1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine (CID 12986626) is 1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine.
What is the SMILES notation for 1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine?
The canonical SMILES for 1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine is C1=CC(CCN2CCCCC2)=CC1.
What is the InChIKey of 1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine?
The InChIKey is YHJLLIYYBSUUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-9-13(10-5-1)11-8-12-6-2-3-7-12/h2,6-7H,1,3-5,8-11H2.
What are the key properties of 1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine?
1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine has a molecular weight of 177.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-1,4-dien-1-ylethyl)piperidine is sourced from PubChem (CID 12986626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).