1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine

C16H26FN3 — CID 173009685

IUPAC1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCN(C3=CCCC=C3F)CC2)CC1
InChIInChI=1S/C16H26FN3/c1-18-10-12-19(13-11-18)14-6-8-20(9-7-14)16-5-3-2-4-15(16)17/h4-5,14H,2-3,6-13H2,1H3
InChIKeyZBCUXGRRMBOOMY-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.23
Rot. Bonds2

About 1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine

1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine (PubChem CID 173009685) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine
PubChem CID173009685
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCN(C3=CCCC=C3F)CC2)CC1
InChIInChI=1S/C16H26FN3/c1-18-10-12-19(13-11-18)14-6-8-20(9-7-14)16-5-3-2-4-15(16)17/h4-5,14H,2-3,6-13H2,1H3
InChIKeyZBCUXGRRMBOOMY-UHFFFAOYSA-N
XLogP2.23
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Piperidin-1-ylcyclohex-2-en-1-yl)piperidine
CID 14315940
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
CID 142182809
1-(6-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpiperidin-4-amine
CID 173009671
1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine
CID 135086295
1-[1-[(3Z,5E)-5,7-difluoro-2-methylocta-3,5,7-trienyl]piperidin-4-yl]-4-[(3Z,5E)-3-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]piperazine
CID 143279917
N-cyclohexa-1,5-dien-1-yl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]cyclohexa-1,5-dien-1-amine
CID 91298077
1-(5-Ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine
CID 139400853
ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine
CID 144607330
1-[1-(5,5-Dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine
CID 168870455
1-(1-methylpiperidin-4-yl)-4-[(3E,5Z)-nona-3,5-dien-4-yl]piperazine
CID 169914453
1-Methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine
CID 172768948
1-Methyl-4-[1-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]piperazine
CID 173009668

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine (CID 173009685) is 1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine is CN1CCN(C2CCN(C3=CCCC=C3F)CC2)CC1.
What is the InChIKey of 1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine?
The InChIKey is ZBCUXGRRMBOOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-18-10-12-19(13-11-18)14-6-8-20(9-7-14)16-5-3-2-4-15(16)17/h4-5,14H,2-3,6-13H2,1H3.
What are the key properties of 1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine?
1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine has a molecular weight of 279.40 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine is sourced from PubChem (CID 173009685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).