1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine

C23H37FN4 — CID 177362813

IUPAC1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESC=C1CCC(C2=CC=C(N3CCN(CC4CCN(C)CC4)CC3)C(F)C2)CN1
InChIInChI=1S/C23H37FN4/c1-18-3-4-21(16-25-18)20-5-6-23(22(24)15-20)28-13-11-27(12-14-28)17-19-7-9-26(2)10-8-19/h5-6,19,21-22,25H,1,3-4,7-17H2,2H3
InChIKeyZASSLFVUUXGLIG-UHFFFAOYSA-N
MW388.58 g/mol
LogP3.01
Rot. Bonds4

About 1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine

1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine (PubChem CID 177362813) has the molecular formula C23H37FN4 and a molecular weight of 388.58 g/mol. Its IUPAC name is 1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
PubChem CID177362813
Molecular FormulaC23H37FN4
Molecular Weight388.58 g/mol
Exact Mass388.30
IUPAC Name1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESC=C1CCC(C2=CC=C(N3CCN(CC4CCN(C)CC4)CC3)C(F)C2)CN1
InChIInChI=1S/C23H37FN4/c1-18-3-4-21(16-25-18)20-5-6-23(22(24)15-20)28-13-11-27(12-14-28)17-19-7-9-26(2)10-8-19/h5-6,19,21-22,25H,1,3-4,7-17H2,2H3
InChIKeyZASSLFVUUXGLIG-UHFFFAOYSA-N
XLogP3.01
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine with MolForge

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Related Compounds

3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine
CID 129135560
N-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine
CID 144619284
3,3-Dimethylbut-1-ene;1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine;methane;methanol;molecular hydrogen
CID 177362812

Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine (CID 177362813) is 1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine is C=C1CCC(C2=CC=C(N3CCN(CC4CCN(C)CC4)CC3)C(F)C2)CN1.
What is the InChIKey of 1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The InChIKey is ZASSLFVUUXGLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37FN4/c1-18-3-4-21(16-25-18)20-5-6-23(22(24)15-20)28-13-11-27(12-14-28)17-19-7-9-26(2)10-8-19/h5-6,19,21-22,25H,1,3-4,7-17H2,2H3.
What are the key properties of 1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine has a molecular weight of 388.58 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 177362813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).