N-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline

C23H33N3O — CID 171395437

IUPACN-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline
SMILESCCCN(C)c1ccc(CN2CCC(COc3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C23H33N3O/c1-4-13-25(3)22-8-6-20(7-9-22)17-26-14-11-21(12-15-26)18-27-23-10-5-19(2)16-24-23/h5-10,16,21H,4,11-15,17-18H2,1-3H3
InChIKeyMZTMVBGFOUNCRM-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.53
Rot. Bonds8

About N-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline

N-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline (PubChem CID 171395437) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is N-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline.

Molecular Properties

Compound NameN-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline
PubChem CID171395437
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC NameN-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline
SMILESCCCN(C)c1ccc(CN2CCC(COc3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C23H33N3O/c1-4-13-25(3)22-8-6-20(7-9-22)17-26-14-11-21(12-15-26)18-27-23-10-5-19(2)16-24-23/h5-10,16,21H,4,11-15,17-18H2,1-3H3
InChIKeyMZTMVBGFOUNCRM-UHFFFAOYSA-N
XLogP4.53
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline?
The IUPAC name of N-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline (CID 171395437) is N-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline.
What is the SMILES notation for N-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline?
The canonical SMILES for N-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline is CCCN(C)c1ccc(CN2CCC(COc3ccc(C)cn3)CC2)cc1.
What is the InChIKey of N-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline?
The InChIKey is MZTMVBGFOUNCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-4-13-25(3)22-8-6-20(7-9-22)17-26-14-11-21(12-15-26)18-27-23-10-5-19(2)16-24-23/h5-10,16,21H,4,11-15,17-18H2,1-3H3.
What are the key properties of N-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline?
N-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline has a molecular weight of 367.54 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-N-propylaniline is sourced from PubChem (CID 171395437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).