1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine

C11H17FN2 — CID 143401046

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine
SMILESFN1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C11H17FN2/c12-14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h2,4-5H,1,3,6-10H2
InChIKeyHQSOQPGUNAFEFM-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.76
Rot. Bonds2

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine

1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine (PubChem CID 143401046) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine
PubChem CID143401046
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine
SMILESFN1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C11H17FN2/c12-14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h2,4-5H,1,3,6-10H2
InChIKeyHQSOQPGUNAFEFM-UHFFFAOYSA-N
XLogP1.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123945212
1-Ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 123987426
1-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-4-methylpiperazine
CID 129043271
1-(4-Fluorocyclohexa-2,4-dien-1-yl)-4-methylpiperazine
CID 129209135
1-[(E,2E)-2-ethylidene-4-fluorohex-3-enyl]-4-methylpiperazine
CID 144191887
1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine
CID 166462619
1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine
CID 170709309
1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine
CID 170709328
1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine
CID 10107412
1-Methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 154548736

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine (CID 143401046) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine is FN1CCN(CC2=CCCC=C2)CC1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine?
The InChIKey is HQSOQPGUNAFEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c12-14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h2,4-5H,1,3,6-10H2.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine?
1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine has a molecular weight of 196.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine is sourced from PubChem (CID 143401046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).