4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine

C27H31ClN2O2 — CID 10225899

IUPAC4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine
SMILESClc1ccc(CN2CCC(N3CCOC(COc4ccc5ccccc5c4)C3)CC2)cc1
InChIInChI=1S/C27H31ClN2O2/c28-24-8-5-21(6-9-24)18-29-13-11-25(12-14-29)30-15-16-31-27(19-30)20-32-26-10-7-22-3-1-2-4-23(22)17-26/h1-10,17,25,27H,11-16,18-20H2
InChIKeyUFZXKAYODBXUFH-UHFFFAOYSA-N
MW451.01 g/mol
LogP5.24
Rot. Bonds6

About 4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine

4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine (PubChem CID 10225899) has the molecular formula C27H31ClN2O2 and a molecular weight of 451.01 g/mol. Its IUPAC name is 4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine.

Molecular Properties

Compound Name4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine
PubChem CID10225899
Molecular FormulaC27H31ClN2O2
Molecular Weight451.01 g/mol
Exact Mass450.21
IUPAC Name4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine
SMILESClc1ccc(CN2CCC(N3CCOC(COc4ccc5ccccc5c4)C3)CC2)cc1
InChIInChI=1S/C27H31ClN2O2/c28-24-8-5-21(6-9-24)18-29-13-11-25(12-14-29)30-15-16-31-27(19-30)20-32-26-10-7-22-3-1-2-4-23(22)17-26/h1-10,17,25,27H,11-16,18-20H2
InChIKeyUFZXKAYODBXUFH-UHFFFAOYSA-N
XLogP5.24
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.01
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine?
The IUPAC name of 4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine (CID 10225899) is 4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine.
What is the SMILES notation for 4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine?
The canonical SMILES for 4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine is Clc1ccc(CN2CCC(N3CCOC(COc4ccc5ccccc5c4)C3)CC2)cc1.
What is the InChIKey of 4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine?
The InChIKey is UFZXKAYODBXUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O2/c28-24-8-5-21(6-9-24)18-29-13-11-25(12-14-29)30-15-16-31-27(19-30)20-32-26-10-7-22-3-1-2-4-23(22)17-26/h1-10,17,25,27H,11-16,18-20H2.
What are the key properties of 4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine?
4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine has a molecular weight of 451.01 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine is sourced from PubChem (CID 10225899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).