1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;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;(2R,6S)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine

C142H212N22 — CID 158228834

About 1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;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;(2R,6S)-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;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;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;(2R,6S)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine (PubChem CID 158228834) has the molecular formula C142H212N22 and a molecular weight of 2227.41 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;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;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;(2R,6S)-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;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;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;(2R,6S)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
• PubChem CID: 158228834
• Molecular Formula: C142H212N22
• Molecular Weight: 2227.41 g/mol
• Exact Mass: 2225.73
• IUPAC Name: 1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;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;(2R,6S)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
• SMILES: Cc1ccc(C2CCN(C)CC2)cc1.Cc1ccc(C2CCN(C3CC3)CC2)cc1.Cc1ccc(N2CCCNCC2)cc1.Cc1ccc(N2CCN(C)C(C)C2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCN3CCCC3C2)cc1.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(N2CCN(C)CC2)nc1
• InChI: InChI=1S/C15H22N2.C15H21N.C14H20N2.C14H22N2.2C13H20N2.C13H19N.2C12H18N2.C11H16N2.C10H16N4/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;1-12-4-6-13(7-5-12)16-10-9-15-8-2-3-14(15)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;1-11-3-5-12(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;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-9-7-11-10(12-8-9)14-5-3-13(2)4-6-14/h5-8,15H,2-4,9-12H2,1H3;2-5,14-15H,6-11H2,1H3;4-7,14H,2-3,8-11H2,1H3;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;3-6H,7-10H2,1-2H3;3-6,13H,2,7-10H2,1H3;2-5,12H,6-9H2,1H3;7-8H,3-6H2,1-2H3/t;;;12-,13+;11-,12+
• InChIKey: GEDBGAFOKNWUGC-LJOPAZGCSA-N
• XLogP: 23.41
• TPSA: 116.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2227.41
LogP ≤ 5	23.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

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;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;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;(2R,6S)-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;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;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;(2R,6S)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine (CID 158228834) is 1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;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;(2R,6S)-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;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;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;(2R,6S)-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;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;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;(2R,6S)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine is Cc1ccc(C2CCN(C)CC2)cc1.Cc1ccc(C2CCN(C3CC3)CC2)cc1.Cc1ccc(N2CCCNCC2)cc1.Cc1ccc(N2CCN(C)C(C)C2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCN3CCCC3C2)cc1.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(N2CCN(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;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;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;(2R,6S)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?

The InChIKey is GEDBGAFOKNWUGC-LJOPAZGCSA-N. The full InChI is InChI=1S/C15H22N2.C15H21N.C14H20N2.C14H22N2.2C13H20N2.C13H19N.2C12H18N2.C11H16N2.C10H16N4/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;1-12-4-6-13(7-5-12)16-10-9-15-8-2-3-14(15)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;1-11-3-5-12(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;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-9-7-11-10(12-8-9)14-5-3-13(2)4-6-14/h5-8,15H,2-4,9-12H2,1H3;2-5,14-15H,6-11H2,1H3;4-7,14H,2-3,8-11H2,1H3;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;3-6H,7-10H2,1-2H3;3-6,13H,2,7-10H2,1H3;2-5,12H,6-9H2,1H3;7-8H,3-6H2,1-2H3/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;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;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;(2R,6S)-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;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;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;(2R,6S)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine has a molecular weight of 2227.41 g/mol, XLogP of 23.41, 12 rotatable bonds, 3 hydrogen bond donors, and 22 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;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;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;(2R,6S)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 158228834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).