1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane

C24H38FN3 — CID 143598690

IUPAC1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane
SMILESC=C(C)CC#N.CC1CCCCC1.CCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C12H17FN2.C7H14.C5H7N/c1-2-14-7-9-15(10-8-14)12-6-4-3-5-11(12)13;1-7-5-3-2-4-6-7;1-5(2)3-4-6/h3-6H,2,7-10H2,1H3;7H,2-6H2,1H3;1,3H2,2H3
InChIKeyLYYCCURHYDSBKE-UHFFFAOYSA-N
MW387.59 g/mol
LogP6.03
Rot. Bonds3

About 1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane

1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane (PubChem CID 143598690) has the molecular formula C24H38FN3 and a molecular weight of 387.59 g/mol. Its IUPAC name is 1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane.

Molecular Properties

Compound Name1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane
PubChem CID143598690
Molecular FormulaC24H38FN3
Molecular Weight387.59 g/mol
Exact Mass387.30
IUPAC Name1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane
SMILESC=C(C)CC#N.CC1CCCCC1.CCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C12H17FN2.C7H14.C5H7N/c1-2-14-7-9-15(10-8-14)12-6-4-3-5-11(12)13;1-7-5-3-2-4-6-7;1-5(2)3-4-6/h3-6H,2,7-10H2,1H3;7H,2-6H2,1H3;1,3H2,2H3
InChIKeyLYYCCURHYDSBKE-UHFFFAOYSA-N
XLogP6.03
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.59
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxyphenyl)-4-ethylpiperazine;3-methylbut-3-enenitrile;methylcyclohexane
CID 143598717
1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile
CID 143598575
1-cyclohexyl-4-(2-fluorophenyl)piperazine;propane
CID 143719363
(4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109134358
3-(4-ethylpiperazin-1-yl)-2-fluorobenzonitrile
CID 57448035
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504673
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]acetonitrile
CID 94722706
1-(2-fluorophenyl)-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine
CID 2845730
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 109014531
2-(4-ethylpiperazin-1-yl)-6-fluorobenzoic acid
CID 79522441

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane?
The IUPAC name of 1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane (CID 143598690) is 1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane.
What is the SMILES notation for 1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane?
The canonical SMILES for 1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane is C=C(C)CC#N.CC1CCCCC1.CCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane?
The InChIKey is LYYCCURHYDSBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2.C7H14.C5H7N/c1-2-14-7-9-15(10-8-14)12-6-4-3-5-11(12)13;1-7-5-3-2-4-6-7;1-5(2)3-4-6/h3-6H,2,7-10H2,1H3;7H,2-6H2,1H3;1,3H2,2H3.
What are the key properties of 1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane?
1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane has a molecular weight of 387.59 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane is sourced from PubChem (CID 143598690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).