5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine

C11H17FN2 — CID 146517316

IUPAC5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(N2CCCCC2)C(F)=C1
InChIInChI=1S/C11H17FN2/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-14/h4,8,11H,1-3,5-7,13H2
InChIKeyBJQRZRAUYVCJRM-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.94
Rot. Bonds1

About 5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine

5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine (PubChem CID 146517316) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
PubChem CID146517316
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(N2CCCCC2)C(F)=C1
InChIInChI=1S/C11H17FN2/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-14/h4,8,11H,1-3,5-7,13H2
InChIKeyBJQRZRAUYVCJRM-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine (CID 146517316) is 5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine is NC1=CCC(N2CCCCC2)C(F)=C1.
What is the InChIKey of 5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is BJQRZRAUYVCJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-14/h4,8,11H,1-3,5-7,13H2.
What are the key properties of 5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine?
5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 196.27 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 146517316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).