1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine

C40H48N2O5 — CID 21253259

IUPAC1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine
SMILESc1ccc(C(Oc2ccc(OCCN3CCCCC3)cc2)OC(Oc2ccc(OCCN3CCCCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C40H48N2O5/c1-5-13-33(14-6-1)39(45-37-21-17-35(18-22-37)43-31-29-41-25-9-3-10-26-41)47-40(34-15-7-2-8-16-34)46-38-23-19-36(20-24-38)44-32-30-42-27-11-4-12-28-42/h1-2,5-8,13-24,39-40H,3-4,9-12,25-32H2
InChIKeyUGMNRFDPXHNQFK-UHFFFAOYSA-N
MW636.83 g/mol
LogP8.29
Rot. Bonds16

About 1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine

1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine (PubChem CID 21253259) has the molecular formula C40H48N2O5 and a molecular weight of 636.83 g/mol. Its IUPAC name is 1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine
PubChem CID21253259
Molecular FormulaC40H48N2O5
Molecular Weight636.83 g/mol
Exact Mass636.36
IUPAC Name1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine
SMILESc1ccc(C(Oc2ccc(OCCN3CCCCC3)cc2)OC(Oc2ccc(OCCN3CCCCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C40H48N2O5/c1-5-13-33(14-6-1)39(45-37-21-17-35(18-22-37)43-31-29-41-25-9-3-10-26-41)47-40(34-15-7-2-8-16-34)46-38-23-19-36(20-24-38)44-32-30-42-27-11-4-12-28-42/h1-2,5-8,13-24,39-40H,3-4,9-12,25-32H2
InChIKeyUGMNRFDPXHNQFK-UHFFFAOYSA-N
XLogP8.29
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.83
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-[4-[2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]but-3-enyl]phenoxy]ethyl]piperidine
CID 24967267
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine
CID 173305671
N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine
CID 24948507
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 78937096
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine
CID 69241480
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine (CID 21253259) is 1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine is c1ccc(C(Oc2ccc(OCCN3CCCCC3)cc2)OC(Oc2ccc(OCCN3CCCCC3)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine?
The InChIKey is UGMNRFDPXHNQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48N2O5/c1-5-13-33(14-6-1)39(45-37-21-17-35(18-22-37)43-31-29-41-25-9-3-10-26-41)47-40(34-15-7-2-8-16-34)46-38-23-19-36(20-24-38)44-32-30-42-27-11-4-12-28-42/h1-2,5-8,13-24,39-40H,3-4,9-12,25-32H2.
What are the key properties of 1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine?
1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine has a molecular weight of 636.83 g/mol, XLogP of 8.29, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine is sourced from PubChem (CID 21253259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).