1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine

C11H16F2N2 — CID 142532234

IUPAC1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine
SMILESNC1CCN(C2=C(F)CCC=C2F)CC1
InChIInChI=1S/C11H16F2N2/c12-9-2-1-3-10(13)11(9)15-6-4-8(14)5-7-15/h2,8H,1,3-7,14H2
InChIKeyKTVOXRPZSOKMAZ-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.24
Rot. Bonds1

About 1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine

1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine (PubChem CID 142532234) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine
PubChem CID142532234
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine
SMILESNC1CCN(C2=C(F)CCC=C2F)CC1
InChIInChI=1S/C11H16F2N2/c12-9-2-1-3-10(13)11(9)15-6-4-8(14)5-7-15/h2,8H,1,3-7,14H2
InChIKeyKTVOXRPZSOKMAZ-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The IUPAC name of 1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine (CID 142532234) is 1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The canonical SMILES for 1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine is NC1CCN(C2=C(F)CCC=C2F)CC1.
What is the InChIKey of 1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The InChIKey is KTVOXRPZSOKMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c12-9-2-1-3-10(13)11(9)15-6-4-8(14)5-7-15/h2,8H,1,3-7,14H2.
What are the key properties of 1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine?
1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine has a molecular weight of 214.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine is sourced from PubChem (CID 142532234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).