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

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Related Compounds

2-(4,6-Difluorocyclohexa-1,3-dien-1-yl)piperazine
CID 69965134
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70311004
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
1-[(Cyclohex-1-en-1-yl)methyl]piperidin-4-amine
CID 86678245
2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine
CID 118312470
2-(2,5-Difluorohexa-2,4-dien-3-yl)piperidine
CID 123481461
3-N-piperidin-4-yl-5-(trifluoromethyl)cyclohexa-1,5-diene-1,3-diamine
CID 134408941
1-[(3E)-3-ethyl-2,2-difluorohexa-3,5-dienyl]piperidin-4-amine
CID 137467745
(3S,4R)-3-fluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine
CID 137547838
6-(4-Aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile
CID 142349705
1-(2,6-Difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 142532234
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317

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).