1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine

C20H27FN2 — CID 2845730

IUPAC1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine
SMILESC=C(C)C1CC=C(CN2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C20H27FN2/c1-16(2)18-9-7-17(8-10-18)15-22-11-13-23(14-12-22)20-6-4-3-5-19(20)21/h3-7,18H,1,8-15H2,2H3
InChIKeyGZPDUQPUQOPPBP-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.25
Rot. Bonds4

About 1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine

1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine (PubChem CID 2845730) has the molecular formula C20H27FN2 and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine
PubChem CID2845730
Molecular FormulaC20H27FN2
Molecular Weight314.45 g/mol
Exact Mass314.22
IUPAC Name1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine
SMILESC=C(C)C1CC=C(CN2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C20H27FN2/c1-16(2)18-9-7-17(8-10-18)15-22-11-13-23(14-12-22)20-6-4-3-5-19(20)21/h3-7,18H,1,8-15H2,2H3
InChIKeyGZPDUQPUQOPPBP-UHFFFAOYSA-N
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium
CID 6942985
N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine
CID 103068745
N-cyclopropyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158364
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone
CID 104750092
2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine
CID 60918844
1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane
CID 143598690
1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one
CID 24781798
N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113166319
1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone
CID 78893807
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915
(2S)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476124

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine (CID 2845730) is 1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine is C=C(C)C1CC=C(CN2CCN(c3ccccc3F)CC2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine?
The InChIKey is GZPDUQPUQOPPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2/c1-16(2)18-9-7-17(8-10-18)15-22-11-13-23(14-12-22)20-6-4-3-5-19(20)21/h3-7,18H,1,8-15H2,2H3.
What are the key properties of 1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine?
1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine has a molecular weight of 314.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine is sourced from PubChem (CID 2845730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).