3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine

C11H18N2 — CID 20758858

IUPAC3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine
SMILESCN1CCC(C2=CC(N)C=C2)CC1
InChIInChI=1S/C11H18N2/c1-13-6-4-9(5-7-13)10-2-3-11(12)8-10/h2-3,8-9,11H,4-7,12H2,1H3
InChIKeyCUPLIEHEKNXSII-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.15
Rot. Bonds1

About 3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine

3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine (PubChem CID 20758858) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine
PubChem CID20758858
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine
SMILESCN1CCC(C2=CC(N)C=C2)CC1
InChIInChI=1S/C11H18N2/c1-13-6-4-9(5-7-13)10-2-3-11(12)8-10/h2-3,8-9,11H,4-7,12H2,1H3
InChIKeyCUPLIEHEKNXSII-UHFFFAOYSA-N
XLogP1.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine?
The IUPAC name of 3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine (CID 20758858) is 3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine is CN1CCC(C2=CC(N)C=C2)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine?
The InChIKey is CUPLIEHEKNXSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-13-6-4-9(5-7-13)10-2-3-11(12)8-10/h2-3,8-9,11H,4-7,12H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine?
3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine is sourced from PubChem (CID 20758858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).