1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine

C15H25FN2 — CID 142182809

IUPAC1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
SMILESCCCCCN1CCN(C2=CC=C(F)CC2)CC1
InChIInChI=1S/C15H25FN2/c1-2-3-4-9-17-10-12-18(13-11-17)15-7-5-14(16)6-8-15/h5,7H,2-4,6,8-13H2,1H3
InChIKeyZGVGTKPGIKWGNV-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.33
Rot. Bonds5

About 1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine

1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine (PubChem CID 142182809) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine.

Molecular Properties

Compound Name1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
PubChem CID142182809
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
SMILESCCCCCN1CCN(C2=CC=C(F)CC2)CC1
InChIInChI=1S/C15H25FN2/c1-2-3-4-9-17-10-12-18(13-11-17)15-7-5-14(16)6-8-15/h5,7H,2-4,6,8-13H2,1H3
InChIKeyZGVGTKPGIKWGNV-UHFFFAOYSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-2,4-dimethylpiperazine
CID 69939424
1-(6-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 71154189
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 90224007
(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 90268007
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-sulfanylpiperazine
CID 123854731
6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine
CID 123867464
1-(6-Fluorohex-1-en-2-yl)-4-methylpiperazine
CID 129029259
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
3-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-N-methylbuta-1,3-diene-2,3-diamine
CID 135269419
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine?
The IUPAC name of 1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine (CID 142182809) is 1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine.
What is the SMILES notation for 1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine?
The canonical SMILES for 1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine is CCCCCN1CCN(C2=CC=C(F)CC2)CC1.
What is the InChIKey of 1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine?
The InChIKey is ZGVGTKPGIKWGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-2-3-4-9-17-10-12-18(13-11-17)15-7-5-14(16)6-8-15/h5,7H,2-4,6,8-13H2,1H3.
What are the key properties of 1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine?
1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine has a molecular weight of 252.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine is sourced from PubChem (CID 142182809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).