1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine

C15H21FN2O — CID 70346613

IUPAC1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine
SMILESC=C(CC)N1CCN(c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c1-4-12(2)17-7-9-18(10-8-17)13-5-6-15(19-3)14(16)11-13/h5-6,11H,2,4,7-10H2,1,3H3
InChIKeyKCDPTJSVOWOMMA-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.88
Rot. Bonds4

About 1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine

1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine (PubChem CID 70346613) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine
PubChem CID70346613
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine
SMILESC=C(CC)N1CCN(c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c1-4-12(2)17-7-9-18(10-8-17)13-5-6-15(19-3)14(16)11-13/h5-6,11H,2,4,7-10H2,1,3H3
InChIKeyKCDPTJSVOWOMMA-UHFFFAOYSA-N
XLogP2.88
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1-(3-fluoro-4-methoxyphenyl)-1,4-diazepane
CID 54973435
1-[4-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 32754911
2-chloro-4-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]benzonitrile
CID 133348150
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111165396
5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133348216
1-[2-[4-(3-fluoro-4-methoxyphenyl)piperazine-1-carbonyl]-1H-indol-5-yl]ethanone
CID 71116283
(3R)-1-(3-fluoro-4-methoxyphenyl)-3-methylpiperazine
CID 67332275
tert-butyl 4-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperazine-1-carboxylate
CID 146327995
[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110363823
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine
CID 43380983
[1-[6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133348274

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine?
The IUPAC name of 1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine (CID 70346613) is 1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine?
The canonical SMILES for 1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine is C=C(CC)N1CCN(c2ccc(OC)c(F)c2)CC1.
What is the InChIKey of 1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine?
The InChIKey is KCDPTJSVOWOMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-4-12(2)17-7-9-18(10-8-17)13-5-6-15(19-3)14(16)11-13/h5-6,11H,2,4,7-10H2,1,3H3.
What are the key properties of 1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine?
1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine has a molecular weight of 264.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine is sourced from PubChem (CID 70346613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).