1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine

C12H17FN2 — CID 142099582

IUPAC1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
SMILESCN1CCN(C2=CC=C(F)CC=C2)CC1
InChIInChI=1S/C12H17FN2/c1-14-7-9-15(10-8-14)12-4-2-3-11(13)5-6-12/h2,4-6H,3,7-10H2,1H3
InChIKeyXTELJPWWOFWYLC-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.93
Rot. Bonds1

About 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine

1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine (PubChem CID 142099582) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
PubChem CID142099582
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
SMILESCN1CCN(C2=CC=C(F)CC=C2)CC1
InChIInChI=1S/C12H17FN2/c1-14-7-9-15(10-8-14)12-4-2-3-11(13)5-6-12/h2,4-6H,3,7-10H2,1H3
InChIKeyXTELJPWWOFWYLC-UHFFFAOYSA-N
XLogP1.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-(6-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 71154189
N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 126629579
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]piperazine
CID 130350914
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211
1-(2-Fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 141158726
1-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-methylpiperazine
CID 141819086
1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine
CID 142099569
1-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142099573
1-methyl-4-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperazine
CID 142128670
1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]piperazine
CID 142128708
1-(6-Fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine
CID 142226978

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine (CID 142099582) is 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine is CN1CCN(C2=CC=C(F)CC=C2)CC1.
What is the InChIKey of 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine?
The InChIKey is XTELJPWWOFWYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-14-7-9-15(10-8-14)12-4-2-3-11(13)5-6-12/h2,4-6H,3,7-10H2,1H3.
What are the key properties of 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine?
1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine has a molecular weight of 208.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 142099582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).