1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine

C170H261FN20O3 — CID 157078798

IUPAC1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine
SMILESC.C.C.CCCN1CCN(c2ccc(C)cn2)CC1.Cc1ccc(C2CCNCC2)cc1.Cc1ccc(CCN2CCCCC2)cc1.Cc1ccc(CN2CCCC(C)(C)C2)cc1.Cc1ccc(CN2CCCC(C)C2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCNCC2)nc1.Cc1ccc(OCC2CCCCC2)cc1.Cc1ccc(OCCN2CCC(C)(F)CC2)cc1.Cc1ccc(OCCN2CCCCC2)cc1.Cc1cnc(N2CCN(C)CC2)cn1
InChIInChI=1S/C15H22FNO.C15H23N.C14H21NO.2C14H21N.C14H20O.C13H21N3.C12H18N2.3C12H17N.C10H16N4.C10H15N3.3CH4/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;1-13-5-7-14(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;1-13-5-7-14(8-6-13)9-12-15-10-3-2-4-11-15;1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;1-3-6-15-7-9-16(10-8-15)13-5-4-12(2)11-14-13;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;2*1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-9-7-12-10(8-11-9)14-5-3-13(2)4-6-14;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13;;;/h3-6H,7-12H2,1-2H3;5-8H,4,9-12H2,1-3H3;5-8H,2-4,9-12H2,1H3;5-8,13H,3-4,9-11H2,1-2H3;5-8H,2-4,9-12H2,1H3;7-10,13H,2-6,11H2,1H3;4-5,11H,3,6-10H2,1-2H3;3-6H,7-10H2,1-2H3;2-5,12-13H,6-9H2,1H3;2*5-8H,2-4,9-10H2,1H3;7-8H,3-6H2,1-2H3;2-3,8,11H,4-7H2,1H3;3*1H4
InChIKeyADHBDXQYSGRARG-UHFFFAOYSA-N
MW2652.09 g/mol
LogP35.23
Rot. Bonds27

About 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine

1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine (PubChem CID 157078798) has the molecular formula C170H261FN20O3 and a molecular weight of 2652.09 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;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine.

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;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine
PubChem CID157078798
Molecular FormulaC170H261FN20O3
Molecular Weight2652.09 g/mol
Exact Mass2650.09
IUPAC Name1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine
SMILESC.C.C.CCCN1CCN(c2ccc(C)cn2)CC1.Cc1ccc(C2CCNCC2)cc1.Cc1ccc(CCN2CCCCC2)cc1.Cc1ccc(CN2CCCC(C)(C)C2)cc1.Cc1ccc(CN2CCCC(C)C2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCNCC2)nc1.Cc1ccc(OCC2CCCCC2)cc1.Cc1ccc(OCCN2CCC(C)(F)CC2)cc1.Cc1ccc(OCCN2CCCCC2)cc1.Cc1cnc(N2CCN(C)CC2)cn1
InChIInChI=1S/C15H22FNO.C15H23N.C14H21NO.2C14H21N.C14H20O.C13H21N3.C12H18N2.3C12H17N.C10H16N4.C10H15N3.3CH4/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;1-13-5-7-14(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;1-13-5-7-14(8-6-13)9-12-15-10-3-2-4-11-15;1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;1-3-6-15-7-9-16(10-8-15)13-5-4-12(2)11-14-13;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;2*1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-9-7-12-10(8-11-9)14-5-3-13(2)4-6-14;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13;;;/h3-6H,7-12H2,1-2H3;5-8H,4,9-12H2,1-3H3;5-8H,2-4,9-12H2,1H3;5-8,13H,3-4,9-11H2,1-2H3;5-8H,2-4,9-12H2,1H3;7-10,13H,2-6,11H2,1H3;4-5,11H,3,6-10H2,1-2H3;3-6H,7-10H2,1-2H3;2-5,12-13H,6-9H2,1H3;2*5-8H,2-4,9-10H2,1H3;7-8H,3-6H2,1-2H3;2-3,8,11H,4-7H2,1H3;3*1H4
InChIKeyADHBDXQYSGRARG-UHFFFAOYSA-N
XLogP35.23
TPSA148.67 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms194
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002652.09
LogP ≤ 535.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

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;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine with MolForge

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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;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine?
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;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine (CID 157078798) is 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine.
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;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine?
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;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine is C.C.C.CCCN1CCN(c2ccc(C)cn2)CC1.Cc1ccc(C2CCNCC2)cc1.Cc1ccc(CCN2CCCCC2)cc1.Cc1ccc(CN2CCCC(C)(C)C2)cc1.Cc1ccc(CN2CCCC(C)C2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCNCC2)nc1.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;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine?
The InChIKey is ADHBDXQYSGRARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO.C15H23N.C14H21NO.2C14H21N.C14H20O.C13H21N3.C12H18N2.3C12H17N.C10H16N4.C10H15N3.3CH4/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;1-13-5-7-14(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;1-13-5-7-14(8-6-13)9-12-15-10-3-2-4-11-15;1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;1-3-6-15-7-9-16(10-8-15)13-5-4-12(2)11-14-13;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;2*1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-9-7-12-10(8-11-9)14-5-3-13(2)4-6-14;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13;;;/h3-6H,7-12H2,1-2H3;5-8H,4,9-12H2,1-3H3;5-8H,2-4,9-12H2,1H3;5-8,13H,3-4,9-11H2,1-2H3;5-8H,2-4,9-12H2,1H3;7-10,13H,2-6,11H2,1H3;4-5,11H,3,6-10H2,1-2H3;3-6H,7-10H2,1-2H3;2-5,12-13H,6-9H2,1H3;2*5-8H,2-4,9-10H2,1H3;7-8H,3-6H2,1-2H3;2-3,8,11H,4-7H2,1H3;3*1H4.
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;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine?
1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine has a molecular weight of 2652.09 g/mol, XLogP of 35.23, 27 rotatable bonds, 2 hydrogen bond donors, and 23 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;methane;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;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine is sourced from PubChem (CID 157078798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).