1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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

C143H213FN16O3 — CID 158454684

IUPAC1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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(CN2CCCC(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(OCCN2CCC(C)(F)CC2)cc1.Cc1ccc(OCCN2CCCCC2)cc1.Cc1cnc(N2CCN(C)CC2)cn1
InChIInChI=1S/C15H22FNO.C15H23N.C14H22N2.C14H21NO.C14H21N.C14H20O.C12H18N2.2C12H17N.C11H16N2.C10H16N4/c1-13-3-5-14(6-4-13)18-12-11-17-9-7-15(2,16)8-10-17;1-13-5-7-14(8-6-13)11-16-10-4-9-15(2,3)12-16;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/h3-6H,7-12H2,1-2H3;5-8H,4,9-12H2,1-3H3;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
InChIKeyHEKRBVPOKYQDLH-UHFFFAOYSA-N
MW2223.38 g/mol
LogP30.02
Rot. Bonds23

About 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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 158454684) has the molecular formula C143H213FN16O3 and a molecular weight of 2223.38 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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 CID158454684
Molecular FormulaC143H213FN16O3
Molecular Weight2223.38 g/mol
Exact Mass2221.70
IUPAC Name1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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(CN2CCCC(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(OCCN2CCC(C)(F)CC2)cc1.Cc1ccc(OCCN2CCCCC2)cc1.Cc1cnc(N2CCN(C)CC2)cn1
InChIInChI=1S/C15H22FNO.C15H23N.C14H22N2.C14H21NO.C14H21N.C14H20O.C12H18N2.2C12H17N.C11H16N2.C10H16N4/c1-13-3-5-14(6-4-13)18-12-11-17-9-7-15(2,16)8-10-17;1-13-5-7-14(8-6-13)11-16-10-4-9-15(2,3)12-16;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/h3-6H,7-12H2,1-2H3;5-8H,4,9-12H2,1-3H3;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
InChIKeyHEKRBVPOKYQDLH-UHFFFAOYSA-N
XLogP30.02
TPSA108.48 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002223.38
LogP ≤ 530.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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

2-(4-Ethoxyphenyl)-6-[4-(p-tolyl)piperazin-1-yl]pyrazine
CID 6482907
4-(2-(5-Fluoro-6-methoxypyridin-3-ylamino)-5-(morpholinomethyl)pyridin-3-yl)-n,n-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine
CID 66611662
{5-[7-(6-fluoro-pyridin-3-yl)-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-pyrimidin-2-yl}-bis-(4-methoxy-benzyl)-amine
CID 67386401
1-[1-[[4-(Difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine
CID 87608029
1-[1-[[3-(2-Fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine
CID 91172630
4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-pyridin-3-ylpyridin-2-amine
CID 135216292
4-[5-[8-[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine
CID 141446235
4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine
CID 141446340
4-[7-(2-Chlorophenyl)quinoxalin-2-yl]morpholine;4-[7-[4-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine;4-[7-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
CID 157981721
5-(4-Tert-butylphenyl)-3-methyl-2-propan-2-ylpyrazine;2-(4-tert-butylpiperidin-1-yl)-4,6-dimethyl-5-propan-2-ylpyrimidine;2-[4-(1,1-difluoro-2-methylpropyl)phenyl]-4-methyl-5-propan-2-ylpyrimidine;2-[4-(3,3-dimethylbutoxy)phenyl]-4,6-dimethyl-5-propan-2-ylpyrimidine;2-[4-(3,3-dimethylbutoxy)phenyl]-4-methyl-5-propan-2-ylpyrimidine
CID 160442984
CID 160908734
CID 160908734
Bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)
CID 162235999

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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 158454684) is 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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(CN2CCCC(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(OCCN2CCC(C)(F)CC2)cc1.Cc1ccc(OCCN2CCCCC2)cc1.Cc1cnc(N2CCN(C)CC2)cn1.
What is the InChIKey of 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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 HEKRBVPOKYQDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO.C15H23N.C14H22N2.C14H21NO.C14H21N.C14H20O.C12H18N2.2C12H17N.C11H16N2.C10H16N4/c1-13-3-5-14(6-4-13)18-12-11-17-9-7-15(2,16)8-10-17;1-13-5-7-14(8-6-13)11-16-10-4-9-15(2,3)12-16;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/h3-6H,7-12H2,1-2H3;5-8H,4,9-12H2,1-3H3;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.
What are the key properties of 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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 2223.38 g/mol, XLogP of 30.02, 23 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;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 158454684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).