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

C26H42N2O — CID 56668952

IUPAC4-methyl-1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidine
SMILESCC1CCN(C2CCC(c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1
InChIInChI=1S/C26H42N2O/c1-22-14-19-28(20-15-22)25-10-6-23(7-11-25)24-8-12-26(13-9-24)29-21-5-18-27-16-3-2-4-17-27/h8-9,12-13,22-23,25H,2-7,10-11,14-21H2,1H3
InChIKeyJWSVZHPKZOJECJ-UHFFFAOYSA-N
MW398.64 g/mol
LogP5.70
Rot. Bonds7

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

4-methyl-1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidine (PubChem CID 56668952) has the molecular formula C26H42N2O and a molecular weight of 398.64 g/mol. Its IUPAC name is 4-methyl-1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidine
PubChem CID56668952
Molecular FormulaC26H42N2O
Molecular Weight398.64 g/mol
Exact Mass398.33
IUPAC Name4-methyl-1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidine
SMILESCC1CCN(C2CCC(c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1
InChIInChI=1S/C26H42N2O/c1-22-14-19-28(20-15-22)25-10-6-23(7-11-25)24-8-12-26(13-9-24)29-21-5-18-27-16-3-2-4-17-27/h8-9,12-13,22-23,25H,2-7,10-11,14-21H2,1H3
InChIKeyJWSVZHPKZOJECJ-UHFFFAOYSA-N
XLogP5.70
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.64
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-methyl-1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidine?
The IUPAC name of 4-methyl-1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidine (CID 56668952) is 4-methyl-1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidine.
What is the SMILES notation for 4-methyl-1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidine?
The canonical SMILES for 4-methyl-1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidine is CC1CCN(C2CCC(c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1.
What is the InChIKey of 4-methyl-1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidine?
The InChIKey is JWSVZHPKZOJECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O/c1-22-14-19-28(20-15-22)25-10-6-23(7-11-25)24-8-12-26(13-9-24)29-21-5-18-27-16-3-2-4-17-27/h8-9,12-13,22-23,25H,2-7,10-11,14-21H2,1H3.
What are the key properties of 4-methyl-1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidine?
4-methyl-1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidine has a molecular weight of 398.64 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidine is sourced from PubChem (CID 56668952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).