1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine

C12H18F2N2 — CID 163724671

IUPAC1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine
SMILESNC1CCN(CC2=CC(F)CC(F)=C2)CC1
InChIInChI=1S/C12H18F2N2/c13-10-5-9(6-11(14)7-10)8-16-3-1-12(15)2-4-16/h5-6,10,12H,1-4,7-8,15H2
InChIKeyKUOIUQLWEIYMEV-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.93
Rot. Bonds2

About 1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine

1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine (PubChem CID 163724671) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine
PubChem CID163724671
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine
SMILESNC1CCN(CC2=CC(F)CC(F)=C2)CC1
InChIInChI=1S/C12H18F2N2/c13-10-5-9(6-11(14)7-10)8-16-3-1-12(15)2-4-16/h5-6,10,12H,1-4,7-8,15H2
InChIKeyKUOIUQLWEIYMEV-UHFFFAOYSA-N
XLogP1.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine (CID 163724671) is 1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine is NC1CCN(CC2=CC(F)CC(F)=C2)CC1.
What is the InChIKey of 1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine?
The InChIKey is KUOIUQLWEIYMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c13-10-5-9(6-11(14)7-10)8-16-3-1-12(15)2-4-16/h5-6,10,12H,1-4,7-8,15H2.
What are the key properties of 1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine?
1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine has a molecular weight of 228.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 163724671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).