1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane

C76H146ClF4N11O — CID 160609202

IUPAC1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane
SMILESC.C.C.C.C.C.CCN(C)c1ccccn1.CCN1CCC(C(F)(F)F)CC1.CCN1CCC(O)CC1.CCN1CCCCC1.CCN1CCN(CCC2CCCCC2)CC1.CCN1CCN(Cc2ccc(Cl)cc2)CC1.CCN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H28N2.C13H19ClN2.C13H19FN2.C8H14F3N.C8H12N2.C7H15NO.C7H15N.6CH4/c1-2-15-10-12-16(13-11-15)9-8-14-6-4-3-5-7-14;2*1-2-15-7-9-16(10-8-15)11-12-3-5-13(14)6-4-12;1-2-12-5-3-7(4-6-12)8(9,10)11;1-3-10(2)8-6-4-5-7-9-8;1-2-8-5-3-7(9)4-6-8;1-2-8-6-4-3-5-7-8;;;;;;/h14H,2-13H2,1H3;2*3-6H,2,7-11H2,1H3;7H,2-6H2,1H3;4-7H,3H2,1-2H3;7,9H,2-6H2,1H3;2-7H2,1H3;6*1H4
InChIKeyRFGYYCCCFNNIRS-UHFFFAOYSA-N
MW1341.52 g/mol
LogP16.63
Rot. Bonds15

About 1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane

1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane (PubChem CID 160609202) has the molecular formula C76H146ClF4N11O and a molecular weight of 1341.52 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane
PubChem CID160609202
Molecular FormulaC76H146ClF4N11O
Molecular Weight1341.52 g/mol
Exact Mass1340.13
IUPAC Name1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane
SMILESC.C.C.C.C.C.CCN(C)c1ccccn1.CCN1CCC(C(F)(F)F)CC1.CCN1CCC(O)CC1.CCN1CCCCC1.CCN1CCN(CCC2CCCCC2)CC1.CCN1CCN(Cc2ccc(Cl)cc2)CC1.CCN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H28N2.C13H19ClN2.C13H19FN2.C8H14F3N.C8H12N2.C7H15NO.C7H15N.6CH4/c1-2-15-10-12-16(13-11-15)9-8-14-6-4-3-5-7-14;2*1-2-15-7-9-16(10-8-15)11-12-3-5-13(14)6-4-12;1-2-12-5-3-7(4-6-12)8(9,10)11;1-3-10(2)8-6-4-5-7-9-8;1-2-8-5-3-7(9)4-6-8;1-2-8-6-4-3-5-7-8;;;;;;/h14H,2-13H2,1H3;2*3-6H,2,7-11H2,1H3;7H,2-6H2,1H3;4-7H,3H2,1-2H3;7,9H,2-6H2,1H3;2-7H2,1H3;6*1H4
InChIKeyRFGYYCCCFNNIRS-UHFFFAOYSA-N
XLogP16.63
TPSA65.52 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001341.52
LogP ≤ 516.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane (CID 160609202) is 1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane is C.C.C.C.C.C.CCN(C)c1ccccn1.CCN1CCC(C(F)(F)F)CC1.CCN1CCC(O)CC1.CCN1CCCCC1.CCN1CCN(CCC2CCCCC2)CC1.CCN1CCN(Cc2ccc(Cl)cc2)CC1.CCN1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane?
The InChIKey is RFGYYCCCFNNIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C13H19ClN2.C13H19FN2.C8H14F3N.C8H12N2.C7H15NO.C7H15N.6CH4/c1-2-15-10-12-16(13-11-15)9-8-14-6-4-3-5-7-14;2*1-2-15-7-9-16(10-8-15)11-12-3-5-13(14)6-4-12;1-2-12-5-3-7(4-6-12)8(9,10)11;1-3-10(2)8-6-4-5-7-9-8;1-2-8-5-3-7(9)4-6-8;1-2-8-6-4-3-5-7-8;;;;;;/h14H,2-13H2,1H3;2*3-6H,2,7-11H2,1H3;7H,2-6H2,1H3;4-7H,3H2,1-2H3;7,9H,2-6H2,1H3;2-7H2,1H3;6*1H4.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane?
1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane has a molecular weight of 1341.52 g/mol, XLogP of 16.63, 15 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-[(4-fluorophenyl)methyl]piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane is sourced from PubChem (CID 160609202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).