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

C118H175N11O2 — CID 158418970

IUPAC1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;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(OCCN2CCCCC2)cc1
InChIInChI=1S/C15H23N.C14H22N2.C14H21NO.C14H21N.C14H20O.C12H18N2.2C12H17N.C11H16N2/c1-13-5-7-14(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/h5-8H,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
InChIKeyHAGGXMROTNJKGE-UHFFFAOYSA-N
MW1779.77 g/mol
LogP26.28
Rot. Bonds18

About 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;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;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine (PubChem CID 158418970) has the molecular formula C118H175N11O2 and a molecular weight of 1779.77 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;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;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine
PubChem CID158418970
Molecular FormulaC118H175N11O2
Molecular Weight1779.77 g/mol
Exact Mass1778.39
IUPAC Name1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;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(OCCN2CCCCC2)cc1
InChIInChI=1S/C15H23N.C14H22N2.C14H21NO.C14H21N.C14H20O.C12H18N2.2C12H17N.C11H16N2/c1-13-5-7-14(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/h5-8H,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
InChIKeyHAGGXMROTNJKGE-UHFFFAOYSA-N
XLogP26.28
TPSA63.75 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001779.77
LogP ≤ 526.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;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

3-(4-Tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 159027376
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
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
ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine
CID 162286988
4-methyl-N-[4-[4-(3-phenylmethoxy-2-pyridinyl)piperazin-1-yl]butyl]aniline
CID 44214799
4-[2-(4-hydroxyphenyl)-4-[4-(4-methyl-N-pyridin-2-ylanilino)phenoxy]butan-2-yl]phenol
CID 20580175
4-[4-(4-Ethoxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 57761496
4-[4-(4-Methoxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 57761610
1-[2-(4-Methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine
CID 58057981
N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine
CID 58369621
(5-{7-[2-(4-Ethyl-piperazin-1-yl)-pyridin-4-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 59628456
bis-(4-methoxy-benzyl)-(5-{7-[4-(4-methyl-piperazin-1-ylmethyl)-phenyl]-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl}-pyrimidin-2-yl)-amine
CID 67385883

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;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;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;1-[2-(4-methylphenoxy)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine (CID 158418970) is 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;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;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;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;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;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(OCCN2CCCCC2)cc1.
What is the InChIKey of 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;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 HAGGXMROTNJKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C14H22N2.C14H21NO.C14H21N.C14H20O.C12H18N2.2C12H17N.C11H16N2/c1-13-5-7-14(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/h5-8H,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.
What are the key properties of 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;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;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;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 1779.77 g/mol, XLogP of 26.28, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;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 158418970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).