4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine

C38H46N2O5 — CID 22126613

IUPAC4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine
SMILESc1ccc(COCCCOc2ccc(C3CCNCC3OCc3ccc4cc(OCCN5CCOCC5)ccc4c3)cc2)cc1
InChIInChI=1S/C38H46N2O5/c1-2-5-30(6-3-1)28-42-20-4-21-43-35-12-9-32(10-13-35)37-15-16-39-27-38(37)45-29-31-7-8-34-26-36(14-11-33(34)25-31)44-24-19-40-17-22-41-23-18-40/h1-3,5-14,25-26,37-39H,4,15-24,27-29H2
InChIKeyNFGSWDKOHGAPRT-UHFFFAOYSA-N
MW610.80 g/mol
LogP6.20
Rot. Bonds15

About 4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine

4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine (PubChem CID 22126613) has the molecular formula C38H46N2O5 and a molecular weight of 610.80 g/mol. Its IUPAC name is 4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine
PubChem CID22126613
Molecular FormulaC38H46N2O5
Molecular Weight610.80 g/mol
Exact Mass610.34
IUPAC Name4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine
SMILESc1ccc(COCCCOc2ccc(C3CCNCC3OCc3ccc4cc(OCCN5CCOCC5)ccc4c3)cc2)cc1
InChIInChI=1S/C38H46N2O5/c1-2-5-30(6-3-1)28-42-20-4-21-43-35-12-9-32(10-13-35)37-15-16-39-27-38(37)45-29-31-7-8-34-26-36(14-11-33(34)25-31)44-24-19-40-17-22-41-23-18-40/h1-3,5-14,25-26,37-39H,4,15-24,27-29H2
InChIKeyNFGSWDKOHGAPRT-UHFFFAOYSA-N
XLogP6.20
TPSA61.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.80
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine (CID 22126613) is 4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine is c1ccc(COCCCOc2ccc(C3CCNCC3OCc3ccc4cc(OCCN5CCOCC5)ccc4c3)cc2)cc1.
What is the InChIKey of 4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine?
The InChIKey is NFGSWDKOHGAPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N2O5/c1-2-5-30(6-3-1)28-42-20-4-21-43-35-12-9-32(10-13-35)37-15-16-39-27-38(37)45-29-31-7-8-34-26-36(14-11-33(34)25-31)44-24-19-40-17-22-41-23-18-40/h1-3,5-14,25-26,37-39H,4,15-24,27-29H2.
What are the key properties of 4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine?
4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine has a molecular weight of 610.80 g/mol, XLogP of 6.20, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine is sourced from PubChem (CID 22126613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).