1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate)

C137H226N11O10S5-5 — CID 157064476

IUPAC1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate)
SMILESCC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CCc1ccc(N(c2ccccc2)C(C)C)cc1.CCc1ccc(N2CCC(N3CCCCC3)CC2)cc1.CCc1ccc(N2CCN(C)CC2)cc1.CCc1ccc(N2CCN(c3ccccc3)CC2)cc1.CCc1ccc(N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C18H28N2.C18H22N2.C17H21N.C16H20N4.C13H20N2.5C7H14.5C4H10O2S/c1-2-16-6-8-17(9-7-16)20-14-10-18(11-15-20)19-12-4-3-5-13-19;1-2-16-8-10-18(11-9-16)20-14-12-19(13-15-20)17-6-4-3-5-7-17;1-4-15-10-12-17(13-11-15)18(14(2)3)16-8-6-5-7-9-16;1-2-14-4-6-15(7-5-14)19-10-12-20(13-11-19)16-17-8-3-9-18-16;1-3-12-4-6-13(7-5-12)15-10-8-14(2)9-11-15;5*1-7-5-3-2-4-6-7;5*1-4(2,3)7(5)6/h6-9,18H,2-5,10-15H2,1H3;3-11H,2,12-15H2,1H3;5-14H,4H2,1-3H3;3-9H,2,10-13H2,1H3;4-7H,3,8-11H2,1-2H3;5*7H,2-6H2,1H3;5*1-3H3,(H,5,6)/p-5
InChIKeyZGUFSPXPUDDARZ-UHFFFAOYSA-I
MW2347.72 g/mol
LogP32.69
Rot. Bonds15

About 1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate)

1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate) (PubChem CID 157064476) has the molecular formula C137H226N11O10S5-5 and a molecular weight of 2347.72 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate).

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate)
PubChem CID157064476
Molecular FormulaC137H226N11O10S5-5
Molecular Weight2347.72 g/mol
Exact Mass2345.61
IUPAC Name1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate)
SMILESCC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CCc1ccc(N(c2ccccc2)C(C)C)cc1.CCc1ccc(N2CCC(N3CCCCC3)CC2)cc1.CCc1ccc(N2CCN(C)CC2)cc1.CCc1ccc(N2CCN(c3ccccc3)CC2)cc1.CCc1ccc(N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C18H28N2.C18H22N2.C17H21N.C16H20N4.C13H20N2.5C7H14.5C4H10O2S/c1-2-16-6-8-17(9-7-16)20-14-10-18(11-15-20)19-12-4-3-5-13-19;1-2-16-8-10-18(11-9-16)20-14-12-19(13-15-20)17-6-4-3-5-7-17;1-4-15-10-12-17(13-11-15)18(14(2)3)16-8-6-5-7-9-16;1-2-14-4-6-15(7-5-14)19-10-12-20(13-11-19)16-17-8-3-9-18-16;1-3-12-4-6-13(7-5-12)15-10-8-14(2)9-11-15;5*1-7-5-3-2-4-6-7;5*1-4(2,3)7(5)6/h6-9,18H,2-5,10-15H2,1H3;3-11H,2,12-15H2,1H3;5-14H,4H2,1-3H3;3-9H,2,10-13H2,1H3;4-7H,3,8-11H2,1-2H3;5*7H,2-6H2,1H3;5*1-3H3,(H,5,6)/p-5
InChIKeyZGUFSPXPUDDARZ-UHFFFAOYSA-I
XLogP32.69
TPSA255.59 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002347.72
LogP ≤ 532.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate)?
The IUPAC name of 1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate) (CID 157064476) is 1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate).
What is the SMILES notation for 1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate)?
The canonical SMILES for 1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate) is CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CCc1ccc(N(c2ccccc2)C(C)C)cc1.CCc1ccc(N2CCC(N3CCCCC3)CC2)cc1.CCc1ccc(N2CCN(C)CC2)cc1.CCc1ccc(N2CCN(c3ccccc3)CC2)cc1.CCc1ccc(N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate)?
The InChIKey is ZGUFSPXPUDDARZ-UHFFFAOYSA-I. The full InChI is InChI=1S/C18H28N2.C18H22N2.C17H21N.C16H20N4.C13H20N2.5C7H14.5C4H10O2S/c1-2-16-6-8-17(9-7-16)20-14-10-18(11-15-20)19-12-4-3-5-13-19;1-2-16-8-10-18(11-9-16)20-14-12-19(13-15-20)17-6-4-3-5-7-17;1-4-15-10-12-17(13-11-15)18(14(2)3)16-8-6-5-7-9-16;1-2-14-4-6-15(7-5-14)19-10-12-20(13-11-19)16-17-8-3-9-18-16;1-3-12-4-6-13(7-5-12)15-10-8-14(2)9-11-15;5*1-7-5-3-2-4-6-7;5*1-4(2,3)7(5)6/h6-9,18H,2-5,10-15H2,1H3;3-11H,2,12-15H2,1H3;5-14H,4H2,1-3H3;3-9H,2,10-13H2,1H3;4-7H,3,8-11H2,1-2H3;5*7H,2-6H2,1H3;5*1-3H3,(H,5,6)/p-5.
What are the key properties of 1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate)?
1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate) has a molecular weight of 2347.72 g/mol, XLogP of 32.69, 15 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate) is sourced from PubChem (CID 157064476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).