3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine

C32H48N2O2 — CID 10206804

IUPAC3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine
SMILESCc1cc(CCc2cc(C)c(OCC3CCCN(C)C3)c(C)c2)cc(C)c1OCC1CCCN(C)C1
InChIInChI=1S/C32H48N2O2/c1-23-15-27(16-24(2)31(23)35-21-29-9-7-13-33(5)19-29)11-12-28-17-25(3)32(26(4)18-28)36-22-30-10-8-14-34(6)20-30/h15-18,29-30H,7-14,19-22H2,1-6H3
InChIKeyYUOVZXZMGKNECC-UHFFFAOYSA-N
MW492.75 g/mol
LogP6.15
Rot. Bonds9

About 3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine

3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine (PubChem CID 10206804) has the molecular formula C32H48N2O2 and a molecular weight of 492.75 g/mol. Its IUPAC name is 3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine
PubChem CID10206804
Molecular FormulaC32H48N2O2
Molecular Weight492.75 g/mol
Exact Mass492.37
IUPAC Name3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine
SMILESCc1cc(CCc2cc(C)c(OCC3CCCN(C)C3)c(C)c2)cc(C)c1OCC1CCCN(C)C1
InChIInChI=1S/C32H48N2O2/c1-23-15-27(16-24(2)31(23)35-21-29-9-7-13-33(5)19-29)11-12-28-17-25(3)32(26(4)18-28)36-22-30-10-8-14-34(6)20-30/h15-18,29-30H,7-14,19-22H2,1-6H3
InChIKeyYUOVZXZMGKNECC-UHFFFAOYSA-N
XLogP6.15
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.75
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine with MolForge

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Related Compounds

3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine
CID 21184166
5-(chloromethyl)-2-(cyclobutylmethoxy)-1,3-dimethylbenzene
CID 65460366
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601
[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]methanamine
CID 61344792
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
4-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenol
CID 165429310
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
(3S)-3-[(3-iodophenoxy)methyl]-1-methylpiperidine
CID 165429240
1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine
CID 61342285
4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline
CID 57021873
2-(cyclobutylmethoxy)-3,5-dimethylphenol
CID 84674450
N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine
CID 43560086

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine?
The IUPAC name of 3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine (CID 10206804) is 3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine.
What is the SMILES notation for 3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine?
The canonical SMILES for 3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine is Cc1cc(CCc2cc(C)c(OCC3CCCN(C)C3)c(C)c2)cc(C)c1OCC1CCCN(C)C1.
What is the InChIKey of 3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine?
The InChIKey is YUOVZXZMGKNECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2O2/c1-23-15-27(16-24(2)31(23)35-21-29-9-7-13-33(5)19-29)11-12-28-17-25(3)32(26(4)18-28)36-22-30-10-8-14-34(6)20-30/h15-18,29-30H,7-14,19-22H2,1-6H3.
What are the key properties of 3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine?
3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine has a molecular weight of 492.75 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine is sourced from PubChem (CID 10206804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).