1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine

C14H23FN2 — CID 142350904

IUPAC1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine
SMILESC/C=C/C(C)=C(C(\F)=C/C)/N1CCN(C)CC1
InChIInChI=1S/C14H23FN2/c1-5-7-12(3)14(13(15)6-2)17-10-8-16(4)9-11-17/h5-7H,8-11H2,1-4H3/b7-5+,13-6+,14-12+
InChIKeyCIDTUYWQOGFJGW-USTRSPMQSA-N
MW238.35 g/mol
LogP2.96
Rot. Bonds3

About 1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine

1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine (PubChem CID 142350904) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine
PubChem CID142350904
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine
SMILESC/C=C/C(C)=C(C(\F)=C/C)/N1CCN(C)CC1
InChIInChI=1S/C14H23FN2/c1-5-7-12(3)14(13(15)6-2)17-10-8-16(4)9-11-17/h5-7H,8-11H2,1-4H3/b7-5+,13-6+,14-12+
InChIKeyCIDTUYWQOGFJGW-USTRSPMQSA-N
XLogP2.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2Z,4Z,6Z)-5-(trifluoromethyl)octa-2,4,6-trien-4-yl]piperazine
CID 88281887
2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
N-ethyl-N,N'-dimethyl-N'-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 123968478
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dienyl]piperazine
CID 124021711
1-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-4-methylpiperazine
CID 129043271
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
1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
CID 134340833
1-(2-Fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 141158726

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine (CID 142350904) is 1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine is C/C=C/C(C)=C(C(\F)=C/C)/N1CCN(C)CC1.
What is the InChIKey of 1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine?
The InChIKey is CIDTUYWQOGFJGW-USTRSPMQSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-7-12(3)14(13(15)6-2)17-10-8-16(4)9-11-17/h5-7H,8-11H2,1-4H3/b7-5+,13-6+,14-12+.
What are the key properties of 1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine?
1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine has a molecular weight of 238.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine is sourced from PubChem (CID 142350904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).