1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine

C31H46N2O2 — CID 20738685

IUPAC1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
SMILESCc1ccc(OCCC2CCCCN2C)c(Cc2cc(C)ccc2OCCC2CCCCN2C)c1
InChIInChI=1S/C31H46N2O2/c1-24-11-13-30(34-19-15-28-9-5-7-17-32(28)3)26(21-24)23-27-22-25(2)12-14-31(27)35-20-16-29-10-6-8-18-33(29)4/h11-14,21-22,28-29H,5-10,15-20,23H2,1-4H3
InChIKeyFFRIADDARQIMKR-UHFFFAOYSA-N
MW478.72 g/mol
LogP6.40
Rot. Bonds10

About 1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine

1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine (PubChem CID 20738685) has the molecular formula C31H46N2O2 and a molecular weight of 478.72 g/mol. Its IUPAC name is 1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
PubChem CID20738685
Molecular FormulaC31H46N2O2
Molecular Weight478.72 g/mol
Exact Mass478.36
IUPAC Name1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
SMILESCc1ccc(OCCC2CCCCN2C)c(Cc2cc(C)ccc2OCCC2CCCCN2C)c1
InChIInChI=1S/C31H46N2O2/c1-24-11-13-30(34-19-15-28-9-5-7-17-32(28)3)26(21-24)23-27-22-25(2)12-14-31(27)35-20-16-29-10-6-8-18-33(29)4/h11-14,21-22,28-29H,5-10,15-20,23H2,1-4H3
InChIKeyFFRIADDARQIMKR-UHFFFAOYSA-N
XLogP6.40
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.72
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine with MolForge

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Related Compounds

1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913197
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
CID 107914282
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine
CID 107912332
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
4-bromo-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107911011
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methanol
CID 81238136
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472061
3-chloro-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzonitrile
CID 103603446

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine?
The IUPAC name of 1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine (CID 20738685) is 1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine?
The canonical SMILES for 1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine is Cc1ccc(OCCC2CCCCN2C)c(Cc2cc(C)ccc2OCCC2CCCCN2C)c1.
What is the InChIKey of 1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine?
The InChIKey is FFRIADDARQIMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N2O2/c1-24-11-13-30(34-19-15-28-9-5-7-17-32(28)3)26(21-24)23-27-22-25(2)12-14-31(27)35-20-16-29-10-6-8-18-33(29)4/h11-14,21-22,28-29H,5-10,15-20,23H2,1-4H3.
What are the key properties of 1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine?
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine has a molecular weight of 478.72 g/mol, XLogP of 6.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine is sourced from PubChem (CID 20738685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).