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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine

C156H231FN16O4 — CID 159254001

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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine
SMILESCCCN1CCN(c2ccc(C)cc2)CC1.Cc1ccc(C2CCNCC2)cc1.Cc1ccc(CCN2CCOCC2)cc1.Cc1ccc(CN2CCCC(C)(C)C2)cc1.Cc1ccc(CN2CCCC(C)C2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)nc1.Cc1ccc(OCC2CCCCC2)cc1.Cc1ccc(OCCN2CCC(C)(F)CC2)cc1.Cc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C15H22FNO.C15H23N.C14H22N2.C14H21NO.C14H21N.C14H20O.C13H19NO.C12H18N2.2C12H17N.C11H16N2.C10H15N3/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;1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14;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;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;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;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;2-5H,6-11H2,1H3;3-6H,7-10H2,1-2H3;2-5,12-13H,6-9H2,1H3;5-8H,2-4,9-10H2,1H3;2-5,12H,6-9H2,1H3;2-3,8,11H,4-7H2,1H3
InChIKeyKVQVTBSNYRULIO-UHFFFAOYSA-N
MW2413.67 g/mol
LogP30.65
Rot. Bonds26

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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine

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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine (PubChem CID 159254001) has the molecular formula C156H231FN16O4 and a molecular weight of 2413.67 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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine.

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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine
PubChem CID159254001
Molecular FormulaC156H231FN16O4
Molecular Weight2413.67 g/mol
Exact Mass2411.83
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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine
SMILESCCCN1CCN(c2ccc(C)cc2)CC1.Cc1ccc(C2CCNCC2)cc1.Cc1ccc(CCN2CCOCC2)cc1.Cc1ccc(CN2CCCC(C)(C)C2)cc1.Cc1ccc(CN2CCCC(C)C2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)nc1.Cc1ccc(OCC2CCCCC2)cc1.Cc1ccc(OCCN2CCC(C)(F)CC2)cc1.Cc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C15H22FNO.C15H23N.C14H22N2.C14H21NO.C14H21N.C14H20O.C13H19NO.C12H18N2.2C12H17N.C11H16N2.C10H15N3/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;1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14;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;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;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;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;2-5H,6-11H2,1H3;3-6H,7-10H2,1-2H3;2-5,12-13H,6-9H2,1H3;5-8H,2-4,9-10H2,1H3;2-5,12H,6-9H2,1H3;2-3,8,11H,4-7H2,1H3
InChIKeyKVQVTBSNYRULIO-UHFFFAOYSA-N
XLogP30.65
TPSA124.78 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002413.67
LogP ≤ 530.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

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

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Related Compounds

5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 44609802
4-(2-(5-fluoro-6-methoxypyridin-3-ylamino)-5-(2-morpholinopropan-2-yl)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine
CID 66611162
(S)-4-(2-(5-fluoro-6-methoxypyridin-3-ylamino)-5-((3-methylmorpholino)methyl)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine
CID 66611333
4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 66611334
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
4-(2-(5-Fluoro-6-methoxypyridin-3-ylamino)-5-(tetrahydro-2H-pyran-4-YL)pyridin-3-YL)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine
CID 66612216
5,7-difluoro-N-(5-(3-fluoro-4-isopropoxyphenyl)-2-morpholinopyridin-4-yl)-3-methyl-2-(4-methylpyridin-2-yl)quinolin-4-amine
CID 66632380
5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine
CID 66632516
1-[6-(2-Tert-butylanilino)pyridin-3-yl]-3-[2-(2-tert-butylphenoxy)pyridin-3-yl]urea;1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[6-[2-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 87791359
2-N-[(4-methylphenyl)methyl]-4-N-(2-phenoxyethyl)-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine-2,4-diamine
CID 91067187
2-[2-[(4-ethoxy-2,6-difluorophenyl)methylamino]benzenecarboximidoyl]-5-morpholin-4-yl-4-N,6-N-dipyridin-4-ylpyrimidine-4,6-diamine
CID 117612639
N-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 123186664

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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine?
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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine (CID 159254001) 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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine.
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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine?
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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine is CCCN1CCN(c2ccc(C)cc2)CC1.Cc1ccc(C2CCNCC2)cc1.Cc1ccc(CCN2CCOCC2)cc1.Cc1ccc(CN2CCCC(C)(C)C2)cc1.Cc1ccc(CN2CCCC(C)C2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)nc1.Cc1ccc(OCC2CCCCC2)cc1.Cc1ccc(OCCN2CCC(C)(F)CC2)cc1.Cc1ccc(OCCN2CCCCC2)cc1.
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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine?
The InChIKey is KVQVTBSNYRULIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO.C15H23N.C14H22N2.C14H21NO.C14H21N.C14H20O.C13H19NO.C12H18N2.2C12H17N.C11H16N2.C10H15N3/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;1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14;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;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;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;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;2-5H,6-11H2,1H3;3-6H,7-10H2,1-2H3;2-5,12-13H,6-9H2,1H3;5-8H,2-4,9-10H2,1H3;2-5,12H,6-9H2,1H3;2-3,8,11H,4-7H2,1H3.
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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine?
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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine has a molecular weight of 2413.67 g/mol, XLogP of 30.65, 26 rotatable bonds, 3 hydrogen bond donors, and 20 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;1-[2-(4-methylphenoxy)ethyl]piperidine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 159254001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).