1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine

C103H154FN13OS — CID 157287927

IUPAC1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine
SMILESCc1ccc(C2CCCCC2)cc1.Cc1ccc(CCN2CCCCC2)cc1.Cc1ccc(N2CC(C)NC(C)C2)cc1.Cc1ccc(N2CCCCC2)s1.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C3CC3)CC2)cc1.Cc1ccc(OCCN2CCC(C)(F)CC2)cc1.Cc1cnc(N2CCN(C)CC2)nc1
InChIInChI=1S/C15H22FNO.C14H20N2.C14H22N2.C14H21N.C13H20N2.C13H18.C10H16N4.C10H15NS/c1-13-3-5-14(6-4-13)18-12-11-17-9-7-15(2,16)8-10-17;1-12-2-4-13(5-3-12)15-8-10-16(11-9-15)14-6-7-14;1-12(2)15-8-10-16(11-9-15)14-6-4-13(3)5-7-14;1-13-5-7-14(8-6-13)9-12-15-10-3-2-4-11-15;1-10-4-6-13(7-5-10)15-8-11(2)14-12(3)9-15;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-7-11-10(12-8-9)14-5-3-13(2)4-6-14;1-9-5-6-10(12-9)11-7-3-2-4-8-11/h3-6H,7-12H2,1-2H3;2-5,14H,6-11H2,1H3;4-7,12H,8-11H2,1-3H3;5-8H,2-4,9-12H2,1H3;4-7,11-12,14H,8-9H2,1-3H3;7-10,12H,2-6H2,1H3;7-8H,3-6H2,1-2H3;5-6H,2-4,7-8H2,1H3
InChIKeyBALNLZDQFCWLJY-UHFFFAOYSA-N
MW1641.52 g/mol
LogP20.83
Rot. Bonds15

About 1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine

1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine (PubChem CID 157287927) has the molecular formula C103H154FN13OS and a molecular weight of 1641.52 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine.

Molecular Properties

Compound Name1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine
PubChem CID157287927
Molecular FormulaC103H154FN13OS
Molecular Weight1641.52 g/mol
Exact Mass1640.21
IUPAC Name1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine
SMILESCc1ccc(C2CCCCC2)cc1.Cc1ccc(CCN2CCCCC2)cc1.Cc1ccc(N2CC(C)NC(C)C2)cc1.Cc1ccc(N2CCCCC2)s1.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C3CC3)CC2)cc1.Cc1ccc(OCCN2CCC(C)(F)CC2)cc1.Cc1cnc(N2CCN(C)CC2)nc1
InChIInChI=1S/C15H22FNO.C14H20N2.C14H22N2.C14H21N.C13H20N2.C13H18.C10H16N4.C10H15NS/c1-13-3-5-14(6-4-13)18-12-11-17-9-7-15(2,16)8-10-17;1-12-2-4-13(5-3-12)15-8-10-16(11-9-15)14-6-7-14;1-12(2)15-8-10-16(11-9-15)14-6-4-13(3)5-7-14;1-13-5-7-14(8-6-13)9-12-15-10-3-2-4-11-15;1-10-4-6-13(7-5-10)15-8-11(2)14-12(3)9-15;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-7-11-10(12-8-9)14-5-3-13(2)4-6-14;1-9-5-6-10(12-9)11-7-3-2-4-8-11/h3-6H,7-12H2,1-2H3;2-5,14H,6-11H2,1H3;4-7,12H,8-11H2,1-3H3;5-8H,2-4,9-12H2,1H3;4-7,11-12,14H,8-9H2,1-3H3;7-10,12H,2-6H2,1H3;7-8H,3-6H2,1-2H3;5-6H,2-4,7-8H2,1H3
InChIKeyBALNLZDQFCWLJY-UHFFFAOYSA-N
XLogP20.83
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms119
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001641.52
LogP ≤ 520.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine?
The IUPAC name of 1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine (CID 157287927) is 1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine.
What is the SMILES notation for 1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine?
The canonical SMILES for 1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine is Cc1ccc(C2CCCCC2)cc1.Cc1ccc(CCN2CCCCC2)cc1.Cc1ccc(N2CC(C)NC(C)C2)cc1.Cc1ccc(N2CCCCC2)s1.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C3CC3)CC2)cc1.Cc1ccc(OCCN2CCC(C)(F)CC2)cc1.Cc1cnc(N2CCN(C)CC2)nc1.
What is the InChIKey of 1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine?
The InChIKey is BALNLZDQFCWLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO.C14H20N2.C14H22N2.C14H21N.C13H20N2.C13H18.C10H16N4.C10H15NS/c1-13-3-5-14(6-4-13)18-12-11-17-9-7-15(2,16)8-10-17;1-12-2-4-13(5-3-12)15-8-10-16(11-9-15)14-6-7-14;1-12(2)15-8-10-16(11-9-15)14-6-4-13(3)5-7-14;1-13-5-7-14(8-6-13)9-12-15-10-3-2-4-11-15;1-10-4-6-13(7-5-10)15-8-11(2)14-12(3)9-15;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-7-11-10(12-8-9)14-5-3-13(2)4-6-14;1-9-5-6-10(12-9)11-7-3-2-4-8-11/h3-6H,7-12H2,1-2H3;2-5,14H,6-11H2,1H3;4-7,12H,8-11H2,1-3H3;5-8H,2-4,9-12H2,1H3;4-7,11-12,14H,8-9H2,1-3H3;7-10,12H,2-6H2,1H3;7-8H,3-6H2,1-2H3;5-6H,2-4,7-8H2,1H3.
What are the key properties of 1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine?
1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine has a molecular weight of 1641.52 g/mol, XLogP of 20.83, 15 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylbenzene;1-cyclopropyl-4-(4-methylphenyl)piperazine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;1-(5-methylthiophen-2-yl)piperidine is sourced from PubChem (CID 157287927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).