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

C87H169ClF4N12O — CID 159037111

IUPACN-benzylethanamine;1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-(4-fluorophenyl)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.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(c2ccc(F)cc2)CC1.CCNCc1ccccc1
InChIInChI=1S/C14H28N2.C13H19ClN2.C12H17FN2.C9H13N.C8H14F3N.C8H12N2.C7H15NO.C7H15N.9CH4/c1-2-15-10-12-16(13-11-15)9-8-14-6-4-3-5-7-14;1-2-15-7-9-16(10-8-15)11-12-3-5-13(14)6-4-12;1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12;1-2-10-8-9-6-4-3-5-7-9;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;3-6H,2,7-11H2,1H3;3-6H,2,7-10H2,1H3;3-7,10H,2,8H2,1H3;7H,2-6H2,1H3;4-7H,3H2,1-2H3;7,9H,2-6H2,1H3;2-7H2,1H3;9*1H4
InChIKeyJVPAKCVVIMWNLN-UHFFFAOYSA-N
MW1510.84 g/mol
LogP20.33
Rot. Bonds17

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

N-benzylethanamine;1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane (PubChem CID 159037111) has the molecular formula C87H169ClF4N12O and a molecular weight of 1510.84 g/mol. Its IUPAC name is N-benzylethanamine;1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane.

Molecular Properties

Compound NameN-benzylethanamine;1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane
PubChem CID159037111
Molecular FormulaC87H169ClF4N12O
Molecular Weight1510.84 g/mol
Exact Mass1509.32
IUPAC NameN-benzylethanamine;1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-(4-fluorophenyl)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.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(c2ccc(F)cc2)CC1.CCNCc1ccccc1
InChIInChI=1S/C14H28N2.C13H19ClN2.C12H17FN2.C9H13N.C8H14F3N.C8H12N2.C7H15NO.C7H15N.9CH4/c1-2-15-10-12-16(13-11-15)9-8-14-6-4-3-5-7-14;1-2-15-7-9-16(10-8-15)11-12-3-5-13(14)6-4-12;1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12;1-2-10-8-9-6-4-3-5-7-9;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;3-6H,2,7-11H2,1H3;3-6H,2,7-10H2,1H3;3-7,10H,2,8H2,1H3;7H,2-6H2,1H3;4-7H,3H2,1-2H3;7,9H,2-6H2,1H3;2-7H2,1H3;9*1H4
InChIKeyJVPAKCVVIMWNLN-UHFFFAOYSA-N
XLogP20.33
TPSA77.55 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001510.84
LogP ≤ 520.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-benzylethanamine;1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-(4-fluorophenyl)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 N-benzylethanamine;1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane?
The IUPAC name of N-benzylethanamine;1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane (CID 159037111) is N-benzylethanamine;1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-(4-fluorophenyl)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 N-benzylethanamine;1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane?
The canonical SMILES for N-benzylethanamine;1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-(4-fluorophenyl)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.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(c2ccc(F)cc2)CC1.CCNCc1ccccc1.
What is the InChIKey of N-benzylethanamine;1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane?
The InChIKey is JVPAKCVVIMWNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C13H19ClN2.C12H17FN2.C9H13N.C8H14F3N.C8H12N2.C7H15NO.C7H15N.9CH4/c1-2-15-10-12-16(13-11-15)9-8-14-6-4-3-5-7-14;1-2-15-7-9-16(10-8-15)11-12-3-5-13(14)6-4-12;1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12;1-2-10-8-9-6-4-3-5-7-9;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;3-6H,2,7-11H2,1H3;3-6H,2,7-10H2,1H3;3-7,10H,2,8H2,1H3;7H,2-6H2,1H3;4-7H,3H2,1-2H3;7,9H,2-6H2,1H3;2-7H2,1H3;9*1H4.
What are the key properties of N-benzylethanamine;1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane?
N-benzylethanamine;1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane has a molecular weight of 1510.84 g/mol, XLogP of 20.33, 17 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylethanamine;1-[(4-chlorophenyl)methyl]-4-ethylpiperazine;1-(2-cyclohexylethyl)-4-ethylpiperazine;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;methane is sourced from PubChem (CID 159037111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).