1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine

C128H192N15O2+ — CID 158358385

IUPAC1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine
SMILESCCCN1CCN(c2ccc(C)cc2)CC1.Cc1ccc(CC2CCC[N+](C)(C)C2)cc1.Cc1ccc(CN2CCCC(C)C2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(OCC2CCCCC2)cc1.Cc1ccc(OCCN2CCCCC2)cc1.Cc1cnc(N2CCN(C)CC2)cn1
InChIInChI=1S/C15H24N.C14H22N2.C14H21NO.C14H21N.C14H20O.C12H18N2.2C12H17N.C11H16N2.C10H16N4/c1-13-6-8-14(9-7-13)11-15-5-4-10-16(2,3)12-15;1-3-8-15-9-11-16(12-10-15)14-6-4-13(2)5-7-14;1-13-5-7-14(8-6-13)16-12-11-15-9-3-2-4-10-15;1-12-5-7-14(8-6-12)11-15-9-3-4-13(2)10-15;1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;2*1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-9-7-12-10(8-11-9)14-5-3-13(2)4-6-14/h6-9,15H,4-5,10-12H2,1-3H3;4-7H,3,8-12H2,1-2H3;5-8H,2-4,9-12H2,1H3;5-8,13H,3-4,9-11H2,1-2H3;7-10,13H,2-6,11H2,1H3;3-6H,7-10H2,1-2H3;2*5-8H,2-4,9-10H2,1H3;5-6,9H,2-4,7-8H2,1H3;7-8H,3-6H2,1-2H3/q+1;;;;;;;;;
InChIKeyJPJOJPVEKLMDCH-UHFFFAOYSA-N
MW1973.05 g/mol
LogP26.23
Rot. Bonds19

About 1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine

1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine (PubChem CID 158358385) has the molecular formula C128H192N15O2+ and a molecular weight of 1973.05 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine
PubChem CID158358385
Molecular FormulaC128H192N15O2+
Molecular Weight1973.05 g/mol
Exact Mass1971.54
IUPAC Name1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine
SMILESCCCN1CCN(c2ccc(C)cc2)CC1.Cc1ccc(CC2CCC[N+](C)(C)C2)cc1.Cc1ccc(CN2CCCC(C)C2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(OCC2CCCCC2)cc1.Cc1ccc(OCCN2CCCCC2)cc1.Cc1cnc(N2CCN(C)CC2)cn1
InChIInChI=1S/C15H24N.C14H22N2.C14H21NO.C14H21N.C14H20O.C12H18N2.2C12H17N.C11H16N2.C10H16N4/c1-13-6-8-14(9-7-13)11-15-5-4-10-16(2,3)12-15;1-3-8-15-9-11-16(12-10-15)14-6-4-13(2)5-7-14;1-13-5-7-14(8-6-13)16-12-11-15-9-3-2-4-10-15;1-12-5-7-14(8-6-12)11-15-9-3-4-13(2)10-15;1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;2*1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-9-7-12-10(8-11-9)14-5-3-13(2)4-6-14/h6-9,15H,4-5,10-12H2,1-3H3;4-7H,3,8-12H2,1-2H3;5-8H,2-4,9-12H2,1H3;5-8,13H,3-4,9-11H2,1-2H3;7-10,13H,2-6,11H2,1H3;3-6H,7-10H2,1-2H3;2*5-8H,2-4,9-10H2,1H3;5-6,9H,2-4,7-8H2,1H3;7-8H,3-6H2,1-2H3/q+1;;;;;;;;;
InChIKeyJPJOJPVEKLMDCH-UHFFFAOYSA-N
XLogP26.23
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001973.05
LogP ≤ 526.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine with MolForge

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Related Compounds

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CID 156013888
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2-(4-Ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine
CID 6482768
2-(4-Phenoxyphenyl)-6-[4-(4-pyridyl)piperazin-1-yl]pyrazine
CID 6482806
2-(2-Ethoxyphenyl)-6-[4-(p-tolyl)piperazin-1-yl]pyrazine
CID 6482818
4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethyl-aniline
CID 6482829
2-(4-Phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine
CID 6482832
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-6-(p-tolyl)pyrazine
CID 6482883
2-(4-Ethoxyphenyl)-6-[4-(4-pyridyl)piperazin-1-yl]pyrazine
CID 6482901
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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine?
The IUPAC name of 1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine (CID 158358385) is 1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine.
What is the SMILES notation for 1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine?
The canonical SMILES for 1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine is CCCN1CCN(c2ccc(C)cc2)CC1.Cc1ccc(CC2CCC[N+](C)(C)C2)cc1.Cc1ccc(CN2CCCC(C)C2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(OCC2CCCCC2)cc1.Cc1ccc(OCCN2CCCCC2)cc1.Cc1cnc(N2CCN(C)CC2)cn1.
What is the InChIKey of 1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine?
The InChIKey is JPJOJPVEKLMDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N.C14H22N2.C14H21NO.C14H21N.C14H20O.C12H18N2.2C12H17N.C11H16N2.C10H16N4/c1-13-6-8-14(9-7-13)11-15-5-4-10-16(2,3)12-15;1-3-8-15-9-11-16(12-10-15)14-6-4-13(2)5-7-14;1-13-5-7-14(8-6-13)16-12-11-15-9-3-2-4-10-15;1-12-5-7-14(8-6-12)11-15-9-3-4-13(2)10-15;1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;2*1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-9-7-12-10(8-11-9)14-5-3-13(2)4-6-14/h6-9,15H,4-5,10-12H2,1-3H3;4-7H,3,8-12H2,1-2H3;5-8H,2-4,9-12H2,1H3;5-8,13H,3-4,9-11H2,1-2H3;7-10,13H,2-6,11H2,1H3;3-6H,7-10H2,1-2H3;2*5-8H,2-4,9-10H2,1H3;5-6,9H,2-4,7-8H2,1H3;7-8H,3-6H2,1-2H3/q+1;;;;;;;;;.
What are the key properties of 1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine?
1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine has a molecular weight of 1973.05 g/mol, XLogP of 26.23, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-4-methylbenzene;1,1-dimethyl-3-[(4-methylphenyl)methyl]piperidin-1-ium;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine is sourced from PubChem (CID 158358385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).