4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine

C11H17N — CID 12982244

IUPAC4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine
SMILESCN1CCC(C2=CC=CC2)CC1
InChIInChI=1S/C11H17N/c1-12-8-6-11(7-9-12)10-4-2-3-5-10/h2-4,11H,5-9H2,1H3
InChIKeyJRFRGLPIBQXHFL-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.21
Rot. Bonds1

About 4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine

4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine (PubChem CID 12982244) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine.

Molecular Properties

Compound Name4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine
PubChem CID12982244
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine
SMILESCN1CCC(C2=CC=CC2)CC1
InChIInChI=1S/C11H17N/c1-12-8-6-11(7-9-12)10-4-2-3-5-10/h2-4,11H,5-9H2,1H3
InChIKeyJRFRGLPIBQXHFL-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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1-(3,7-Dimethyl-6-octen-1-yl)-4-methylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine?
The IUPAC name of 4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine (CID 12982244) is 4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine.
What is the SMILES notation for 4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine?
The canonical SMILES for 4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine is CN1CCC(C2=CC=CC2)CC1.
What is the InChIKey of 4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine?
The InChIKey is JRFRGLPIBQXHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-12-8-6-11(7-9-12)10-4-2-3-5-10/h2-4,11H,5-9H2,1H3.
What are the key properties of 4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine?
4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine has a molecular weight of 163.26 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopenta-1,3-dien-1-yl-1-methylpiperidine is sourced from PubChem (CID 12982244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).