1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine

C25H42N2O — CID 46929919

IUPAC1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
SMILESc1cc(OCCCCCCCCN2CCCCC2)ccc1CN1CCCCC1
InChIInChI=1S/C25H42N2O/c1(3-7-17-26-18-8-5-9-19-26)2-4-12-22-28-25-15-13-24(14-16-25)23-27-20-10-6-11-21-27/h13-16H,1-12,17-23H2
InChIKeyCUXTVAHUUXRLFA-UHFFFAOYSA-N
MW386.62 g/mol
LogP5.88
Rot. Bonds12

About 1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine

1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine (PubChem CID 46929919) has the molecular formula C25H42N2O and a molecular weight of 386.62 g/mol. Its IUPAC name is 1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine.

Molecular Properties

Compound Name1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
PubChem CID46929919
Molecular FormulaC25H42N2O
Molecular Weight386.62 g/mol
Exact Mass386.33
IUPAC Name1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
SMILESc1cc(OCCCCCCCCN2CCCCC2)ccc1CN1CCCCC1
InChIInChI=1S/C25H42N2O/c1(3-7-17-26-18-8-5-9-19-26)2-4-12-22-28-25-15-13-24(14-16-25)23-27-20-10-6-11-21-27/h13-16H,1-12,17-23H2
InChIKeyCUXTVAHUUXRLFA-UHFFFAOYSA-N
XLogP5.88
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 55.88
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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Related Compounds

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CID 127038670
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CID 70510591
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CID 25267143
1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine
CID 54061741
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl] methanesulfonate
CID 44592166
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
1-[4-(4-iodophenoxy)butyl]pyrrolidine
CID 2232625
N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine
CID 46890597
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
1-[[4-(2-phenylethoxy)phenyl]methyl]piperidine
CID 15952241

Frequently Asked Questions

What is the IUPAC name of 1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine?
The IUPAC name of 1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine (CID 46929919) is 1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine.
What is the SMILES notation for 1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine?
The canonical SMILES for 1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine is c1cc(OCCCCCCCCN2CCCCC2)ccc1CN1CCCCC1.
What is the InChIKey of 1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine?
The InChIKey is CUXTVAHUUXRLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2O/c1(3-7-17-26-18-8-5-9-19-26)2-4-12-22-28-25-15-13-24(14-16-25)23-27-20-10-6-11-21-27/h13-16H,1-12,17-23H2.
What are the key properties of 1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine?
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine has a molecular weight of 386.62 g/mol, XLogP of 5.88, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine is sourced from PubChem (CID 46929919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).