1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine

C121H172F4N26O3 — CID 162096232

IUPAC1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine
SMILESC.CCCCN1CCNCC1.CCc1cccc(N2CCNCC2)c1.COc1ccccc1N1CCNCC1.Cc1ccc(C(c2ccc(F)cc2)N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1.FC(F)(F)c1ccc(N2CCNCC2)cc1.N#Cc1ccc(N2CCNCC2)cc1.O=[N+]([O-])c1ccc(N2CCNCC2)cc1.c1ccc(N2CCNCC2)cc1.c1ccc(N2CCNCC2)nc1.c1cncc(N2CCNCC2)c1
InChIInChI=1S/C18H21FN2.C12H18N2.C11H13F3N2.C11H13N3.C11H16N2O.C11H16N2.C10H13N3O2.C10H14N2.2C9H13N3.C8H18N2.CH4/c1-14-2-4-15(5-3-14)18(21-12-10-20-11-13-21)16-6-8-17(19)9-7-16;1-2-11-4-3-5-12(10-11)14-8-6-13-7-9-14;12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16;12-9-10-1-3-11(4-2-10)14-7-5-13-6-8-14;1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-2-9(8-11-3-1)12-6-4-10-5-7-12;1-2-4-11-9(3-1)12-7-5-10-6-8-12;1-2-3-6-10-7-4-9-5-8-10;/h2-9,18,20H,10-13H2,1H3;3-5,10,13H,2,6-9H2,1H3;1-4,15H,5-8H2;1-4,13H,5-8H2;2-5,12H,6-9H2,1H3;2-5,12H,6-9H2,1H3;1-4,11H,5-8H2;1-5,11H,6-9H2;1-3,8,10H,4-7H2;1-4,10H,5-8H2;9H,2-8H2,1H3;1H4
InChIKeyZEGYTBFBLISVIU-UHFFFAOYSA-N
MW2114.88 g/mol
LogP14.79
Rot. Bonds18

About 1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine

1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine (PubChem CID 162096232) has the molecular formula C121H172F4N26O3 and a molecular weight of 2114.88 g/mol. Its IUPAC name is 1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine
PubChem CID162096232
Molecular FormulaC121H172F4N26O3
Molecular Weight2114.88 g/mol
Exact Mass2113.40
IUPAC Name1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine
SMILESC.CCCCN1CCNCC1.CCc1cccc(N2CCNCC2)c1.COc1ccccc1N1CCNCC1.Cc1ccc(C(c2ccc(F)cc2)N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1.FC(F)(F)c1ccc(N2CCNCC2)cc1.N#Cc1ccc(N2CCNCC2)cc1.O=[N+]([O-])c1ccc(N2CCNCC2)cc1.c1ccc(N2CCNCC2)cc1.c1ccc(N2CCNCC2)nc1.c1cncc(N2CCNCC2)c1
InChIInChI=1S/C18H21FN2.C12H18N2.C11H13F3N2.C11H13N3.C11H16N2O.C11H16N2.C10H13N3O2.C10H14N2.2C9H13N3.C8H18N2.CH4/c1-14-2-4-15(5-3-14)18(21-12-10-20-11-13-21)16-6-8-17(19)9-7-16;1-2-11-4-3-5-12(10-11)14-8-6-13-7-9-14;12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16;12-9-10-1-3-11(4-2-10)14-7-5-13-6-8-14;1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-2-9(8-11-3-1)12-6-4-10-5-7-12;1-2-4-11-9(3-1)12-7-5-10-6-8-12;1-2-3-6-10-7-4-9-5-8-10;/h2-9,18,20H,10-13H2,1H3;3-5,10,13H,2,6-9H2,1H3;1-4,15H,5-8H2;1-4,13H,5-8H2;2-5,12H,6-9H2,1H3;2-5,12H,6-9H2,1H3;1-4,11H,5-8H2;1-5,11H,6-9H2;1-3,8,10H,4-7H2;1-4,10H,5-8H2;9H,2-8H2,1H3;1H4
InChIKeyZEGYTBFBLISVIU-UHFFFAOYSA-N
XLogP14.79
TPSA269.91 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002114.88
LogP ≤ 514.79
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine (CID 162096232) is 1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine is C.CCCCN1CCNCC1.CCc1cccc(N2CCNCC2)c1.COc1ccccc1N1CCNCC1.Cc1ccc(C(c2ccc(F)cc2)N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1.FC(F)(F)c1ccc(N2CCNCC2)cc1.N#Cc1ccc(N2CCNCC2)cc1.O=[N+]([O-])c1ccc(N2CCNCC2)cc1.c1ccc(N2CCNCC2)cc1.c1ccc(N2CCNCC2)nc1.c1cncc(N2CCNCC2)c1.
What is the InChIKey of 1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is ZEGYTBFBLISVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2.C12H18N2.C11H13F3N2.C11H13N3.C11H16N2O.C11H16N2.C10H13N3O2.C10H14N2.2C9H13N3.C8H18N2.CH4/c1-14-2-4-15(5-3-14)18(21-12-10-20-11-13-21)16-6-8-17(19)9-7-16;1-2-11-4-3-5-12(10-11)14-8-6-13-7-9-14;12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16;12-9-10-1-3-11(4-2-10)14-7-5-13-6-8-14;1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-2-9(8-11-3-1)12-6-4-10-5-7-12;1-2-4-11-9(3-1)12-7-5-10-6-8-12;1-2-3-6-10-7-4-9-5-8-10;/h2-9,18,20H,10-13H2,1H3;3-5,10,13H,2,6-9H2,1H3;1-4,15H,5-8H2;1-4,13H,5-8H2;2-5,12H,6-9H2,1H3;2-5,12H,6-9H2,1H3;1-4,11H,5-8H2;1-5,11H,6-9H2;1-3,8,10H,4-7H2;1-4,10H,5-8H2;9H,2-8H2,1H3;1H4.
What are the key properties of 1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine?
1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 2114.88 g/mol, XLogP of 14.79, 18 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 162096232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).