1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine

C14H23FN2 — CID 170709328

IUPAC1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine
SMILESC=C/C=C(/F)C(=C)CN1CCN(C(C)C)CC1
InChIInChI=1S/C14H23FN2/c1-5-6-14(15)13(4)11-16-7-9-17(10-8-16)12(2)3/h5-6,12H,1,4,7-11H2,2-3H3/b14-6+
InChIKeyIMTIWSYATROORR-MKMNVTDBSA-N
MW238.35 g/mol
LogP2.61
Rot. Bonds5

About 1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine

1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine (PubChem CID 170709328) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine
PubChem CID170709328
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine
SMILESC=C/C=C(/F)C(=C)CN1CCN(C(C)C)CC1
InChIInChI=1S/C14H23FN2/c1-5-6-14(15)13(4)11-16-7-9-17(10-8-16)12(2)3/h5-6,12H,1,4,7-11H2,2-3H3/b14-6+
InChIKeyIMTIWSYATROORR-MKMNVTDBSA-N
XLogP2.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.61
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

2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630
1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 63913213
2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid
CID 62823989
ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 170709333
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid
CID 62310293
potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide
CID 63702527
2-[4,10-bis(2-fluoro-2-oxoethyl)-7-(3-methylbutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl fluoride;formyl fluoride
CID 177133639
N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide
CID 172511153
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 59242663
1-(2-bromoethyl)-4-propan-2-ylpiperazine
CID 53415431
1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine
CID 167125945

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine (CID 170709328) is 1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine is C=C/C=C(/F)C(=C)CN1CCN(C(C)C)CC1.
What is the InChIKey of 1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine?
The InChIKey is IMTIWSYATROORR-MKMNVTDBSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-6-14(15)13(4)11-16-7-9-17(10-8-16)12(2)3/h5-6,12H,1,4,7-11H2,2-3H3/b14-6+.
What are the key properties of 1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine?
1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine has a molecular weight of 238.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 170709328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).