1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine

C118H174N16 — CID 157368448

IUPAC1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
SMILESCc1ccc(C2CCN(C)CC2)cc1.Cc1ccc(C2CCN(C3CC3)CC2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCCC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCN3CCCC3C2)cc1.Cc1ccc(N2CCN3CCCCC3C2)cc1.Cc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc1.Cc1cnc(N2CCN(C)CC2)nc1
InChIInChI=1S/C15H22N2.C15H21N.C14H20N2.C14H22N2.2C13H19N.C12H18N2.C12H17N.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;1-11-3-5-12(6-4-11)13-7-9-14(2)10-8-13;1-12-6-8-13(9-7-12)14-10-4-2-3-5-11-14;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;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;3-6,13H,7-10H2,1-2H3;6-9H,2-5,10-11H2,1H3;3-6H,7-10H2,1-2H3;5-8H,2-4,9-10H2,1H3;7-8H,3-6H2,1-2H3/t;;;12-,13+;;;;;
InChIKeyBJLTYLKVIZDCJJ-BOLKWQRKSA-N
MW1816.80 g/mol
LogP22.26
Rot. Bonds10

About 1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine

1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine (PubChem CID 157368448) has the molecular formula C118H174N16 and a molecular weight of 1816.80 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
PubChem CID157368448
Molecular FormulaC118H174N16
Molecular Weight1816.80 g/mol
Exact Mass1815.41
IUPAC Name1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
SMILESCc1ccc(C2CCN(C)CC2)cc1.Cc1ccc(C2CCN(C3CC3)CC2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCCC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCN3CCCC3C2)cc1.Cc1ccc(N2CCN3CCCCC3C2)cc1.Cc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc1.Cc1cnc(N2CCN(C)CC2)nc1
InChIInChI=1S/C15H22N2.C15H21N.C14H20N2.C14H22N2.2C13H19N.C12H18N2.C12H17N.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;1-11-3-5-12(6-4-11)13-7-9-14(2)10-8-13;1-12-6-8-13(9-7-12)14-10-4-2-3-5-11-14;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;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;3-6,13H,7-10H2,1-2H3;6-9H,2-5,10-11H2,1H3;3-6H,7-10H2,1-2H3;5-8H,2-4,9-10H2,1H3;7-8H,3-6H2,1-2H3/t;;;12-,13+;;;;;
InChIKeyBJLTYLKVIZDCJJ-BOLKWQRKSA-N
XLogP22.26
TPSA71.14 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001816.80
LogP ≤ 522.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine (CID 157368448) is 1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine is Cc1ccc(C2CCN(C)CC2)cc1.Cc1ccc(C2CCN(C3CC3)CC2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCCC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCN3CCCC3C2)cc1.Cc1ccc(N2CCN3CCCCC3C2)cc1.Cc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc1.Cc1cnc(N2CCN(C)CC2)nc1.
What is the InChIKey of 1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?
The InChIKey is BJLTYLKVIZDCJJ-BOLKWQRKSA-N. The full InChI is InChI=1S/C15H22N2.C15H21N.C14H20N2.C14H22N2.2C13H19N.C12H18N2.C12H17N.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;1-11-3-5-12(6-4-11)13-7-9-14(2)10-8-13;1-12-6-8-13(9-7-12)14-10-4-2-3-5-11-14;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;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;3-6,13H,7-10H2,1-2H3;6-9H,2-5,10-11H2,1H3;3-6H,7-10H2,1-2H3;5-8H,2-4,9-10H2,1H3;7-8H,3-6H2,1-2H3/t;;;12-,13+;;;;;.
What are the key properties of 1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?
1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine has a molecular weight of 1816.80 g/mol, XLogP of 22.26, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(4-methylphenyl)piperidine;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)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 157368448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).