1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine

C27H41N5 — CID 11524900

IUPAC1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine
SMILESCc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(C)n4)CC3)CC2)c1
InChIInChI=1S/C27H41N5/c1-24-9-7-11-26(23-24)31-19-15-29(16-20-31)13-5-3-4-6-14-30-17-21-32(22-18-30)27-12-8-10-25(2)28-27/h7-12,23H,3-6,13-22H2,1-2H3
InChIKeyPBQPCCMEDMVKBH-UHFFFAOYSA-N
MW435.66 g/mol
LogP4.20
Rot. Bonds9

About 1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine

1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine (PubChem CID 11524900) has the molecular formula C27H41N5 and a molecular weight of 435.66 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine
PubChem CID11524900
Molecular FormulaC27H41N5
Molecular Weight435.66 g/mol
Exact Mass435.34
IUPAC Name1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine
SMILESCc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(C)n4)CC3)CC2)c1
InChIInChI=1S/C27H41N5/c1-24-9-7-11-26(23-24)31-19-15-29(16-20-31)13-5-3-4-6-14-30-17-21-32(22-18-30)27-12-8-10-25(2)28-27/h7-12,23H,3-6,13-22H2,1-2H3
InChIKeyPBQPCCMEDMVKBH-UHFFFAOYSA-N
XLogP4.20
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.66
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Blonanserin
CID 125564
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
N-Methylquipazine
CID 5013
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline
CID 11314275
2-(4-Cyclopropyl-piperazin-1-yl)-quinoline
CID 11324846
2-(4-Cyclopentylpiperazin-1-yl)quinoline
CID 11337173
2-(4-Isopropyl-piperazin-1-yl)-quinoline
CID 11393294

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine?
The IUPAC name of 1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine (CID 11524900) is 1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine.
What is the SMILES notation for 1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine?
The canonical SMILES for 1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine is Cc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(C)n4)CC3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine?
The InChIKey is PBQPCCMEDMVKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N5/c1-24-9-7-11-26(23-24)31-19-15-29(16-20-31)13-5-3-4-6-14-30-17-21-32(22-18-30)27-12-8-10-25(2)28-27/h7-12,23H,3-6,13-22H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine?
1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine has a molecular weight of 435.66 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-4-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]hexyl]piperazine is sourced from PubChem (CID 11524900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).