1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine

C25H41N3O — CID 56658588

IUPAC1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine
SMILESCN1CCN(C2CCC(c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1
InChIInChI=1S/C25H41N3O/c1-26-17-19-28(20-18-26)24-10-6-22(7-11-24)23-8-12-25(13-9-23)29-21-5-16-27-14-3-2-4-15-27/h8-9,12-13,22,24H,2-7,10-11,14-21H2,1H3
InChIKeyCAGJHEKGANXSNK-UHFFFAOYSA-N
MW399.62 g/mol
LogP4.22
Rot. Bonds7

About 1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine

1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine (PubChem CID 56658588) has the molecular formula C25H41N3O and a molecular weight of 399.62 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine
PubChem CID56658588
Molecular FormulaC25H41N3O
Molecular Weight399.62 g/mol
Exact Mass399.32
IUPAC Name1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine
SMILESCN1CCN(C2CCC(c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1
InChIInChI=1S/C25H41N3O/c1-26-17-19-28(20-18-26)24-10-6-22(7-11-24)23-8-12-25(13-9-23)29-21-5-16-27-14-3-2-4-15-27/h8-9,12-13,22,24H,2-7,10-11,14-21H2,1H3
InChIKeyCAGJHEKGANXSNK-UHFFFAOYSA-N
XLogP4.22
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.62
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine?
The IUPAC name of 1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine (CID 56658588) is 1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine is CN1CCN(C2CCC(c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine?
The InChIKey is CAGJHEKGANXSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O/c1-26-17-19-28(20-18-26)24-10-6-22(7-11-24)23-8-12-25(13-9-23)29-21-5-16-27-14-3-2-4-15-27/h8-9,12-13,22,24H,2-7,10-11,14-21H2,1H3.
What are the key properties of 1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine?
1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine has a molecular weight of 399.62 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine is sourced from PubChem (CID 56658588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).