1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;methane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperidin-1-yl)pyrimidine;2-(4-methylphenyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine

C159H244N22S — CID 158175836

About 1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;methane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperidin-1-yl)pyrimidine;2-(4-methylphenyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine

1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;methane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperidin-1-yl)pyrimidine;2-(4-methylphenyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine (PubChem CID 158175836) has the molecular formula C159H244N22S and a molecular weight of 2495.92 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;methane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperidin-1-yl)pyrimidine;2-(4-methylphenyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine.

Molecular Properties

• Compound Name: 1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;methane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperidin-1-yl)pyrimidine;2-(4-methylphenyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
• PubChem CID: 158175836
• Molecular Formula: C159H244N22S
• Molecular Weight: 2495.92 g/mol
• Exact Mass: 2493.95
• IUPAC Name: 1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;methane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperidin-1-yl)pyrimidine;2-(4-methylphenyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
• SMILES: C.C.C.Cc1ccc(C2CCN(C)CC2)cc1.Cc1ccc(C2CCN(C3CC3)CC2)cc1.Cc1ccc(N2CCC3CCCC3C2)cc1.Cc1ccc(N2CCCNCC2)cc1.Cc1ccc(N2CCN(C)C(C)C2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCN3CCCC3C2)s1.Cc1ccc(N2CCN3CCCCC3C2)cc1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc1.Cc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1.Cc1cnc(N2CCC(C)CC2)nc1
• InChI: InChI=1S/C15H22N2.2C15H21N.C14H22N2.2C13H20N2.C13H19N.C12H18N2S.2C12H18N2.C11H17N3.C11H16N2.3CH4/c1-13-5-7-14(8-6-13)17-11-10-16-9-3-2-4-15(16)12-17;1-12-2-4-13(5-3-12)14-8-10-16(11-9-14)15-6-7-15;1-12-5-7-15(8-6-12)16-10-9-13-3-2-4-14(13)11-16;1-11-5-7-14(8-6-11)16-9-12(2)15(4)13(3)10-16;1-10-4-6-13(7-5-10)15-8-11(2)14-12(3)9-15;1-11-4-6-13(7-5-11)15-9-8-14(3)12(2)10-15;1-11-3-5-12(6-4-11)13-7-9-14(2)10-8-13;1-10-4-5-12(15-10)14-8-7-13-6-2-3-11(13)9-14;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-11-3-5-12(6-4-11)14-9-2-7-13-8-10-14;1-9-3-5-14(6-4-9)11-12-7-10(2)8-13-11;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;;;/h5-8,15H,2-4,9-12H2,1H3;2-5,14-15H,6-11H2,1H3;5-8,13-14H,2-4,9-11H2,1H3;5-8,12-13H,9-10H2,1-4H3;4-7,11-12,14H,8-9H2,1-3H3;4-7,12H,8-10H2,1-3H3;3-6,13H,7-10H2,1-2H3;4-5,11H,2-3,6-9H2,1H3;3-6H,7-10H2,1-2H3;3-6,13H,2,7-10H2,1H3;7-9H,3-6H2,1-2H3;2-5,12H,6-9H2,1H3;3*1H4/t;;;12-,13+;11-,12+
• InChIKey: FXZHNBUIFBAOON-KDVDHPHOSA-N
• XLogP: 30.49
• TPSA: 116.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2495.92
LogP ≤ 5	30.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;methane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperidin-1-yl)pyrimidine;2-(4-methylphenyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?

The IUPAC name of 1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;methane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperidin-1-yl)pyrimidine;2-(4-methylphenyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine (CID 158175836) is 1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;methane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperidin-1-yl)pyrimidine;2-(4-methylphenyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine.

What is the SMILES notation for 1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;methane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperidin-1-yl)pyrimidine;2-(4-methylphenyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?

The canonical SMILES for 1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;methane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperidin-1-yl)pyrimidine;2-(4-methylphenyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine is C.C.C.Cc1ccc(C2CCN(C)CC2)cc1.Cc1ccc(C2CCN(C3CC3)CC2)cc1.Cc1ccc(N2CCC3CCCC3C2)cc1.Cc1ccc(N2CCCNCC2)cc1.Cc1ccc(N2CCN(C)C(C)C2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCN3CCCC3C2)s1.Cc1ccc(N2CCN3CCCCC3C2)cc1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc1.Cc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1.Cc1cnc(N2CCC(C)CC2)nc1.

What is the InChIKey of 1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;methane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperidin-1-yl)pyrimidine;2-(4-methylphenyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?

The InChIKey is FXZHNBUIFBAOON-KDVDHPHOSA-N. The full InChI is InChI=1S/C15H22N2.2C15H21N.C14H22N2.2C13H20N2.C13H19N.C12H18N2S.2C12H18N2.C11H17N3.C11H16N2.3CH4/c1-13-5-7-14(8-6-13)17-11-10-16-9-3-2-4-15(16)12-17;1-12-2-4-13(5-3-12)14-8-10-16(11-9-14)15-6-7-15;1-12-5-7-15(8-6-12)16-10-9-13-3-2-4-14(13)11-16;1-11-5-7-14(8-6-11)16-9-12(2)15(4)13(3)10-16;1-10-4-6-13(7-5-10)15-8-11(2)14-12(3)9-15;1-11-4-6-13(7-5-11)15-9-8-14(3)12(2)10-15;1-11-3-5-12(6-4-11)13-7-9-14(2)10-8-13;1-10-4-5-12(15-10)14-8-7-13-6-2-3-11(13)9-14;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-11-3-5-12(6-4-11)14-9-2-7-13-8-10-14;1-9-3-5-14(6-4-9)11-12-7-10(2)8-13-11;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;;;/h5-8,15H,2-4,9-12H2,1H3;2-5,14-15H,6-11H2,1H3;5-8,13-14H,2-4,9-11H2,1H3;5-8,12-13H,9-10H2,1-4H3;4-7,11-12,14H,8-9H2,1-3H3;4-7,12H,8-10H2,1-3H3;3-6,13H,7-10H2,1-2H3;4-5,11H,2-3,6-9H2,1H3;3-6H,7-10H2,1-2H3;3-6,13H,2,7-10H2,1H3;7-9H,3-6H2,1-2H3;2-5,12H,6-9H2,1H3;3*1H4/t;;;12-,13+;11-,12+;;;;;;;;;;.

What are the key properties of 1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;methane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperidin-1-yl)pyrimidine;2-(4-methylphenyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?

1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;methane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperidin-1-yl)pyrimidine;2-(4-methylphenyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine has a molecular weight of 2495.92 g/mol, XLogP of 30.49, 13 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;methane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperidin-1-yl)pyrimidine;2-(4-methylphenyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 158175836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).