4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride

C29H42Cl2N2O2 — CID 86567482

IUPAC4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride
SMILESCC1CCN(CCOc2ccc3c(c2)Cc2cc(OCCN4CCC(C)CC4)ccc2-3)CC1.Cl.Cl
InChIInChI=1S/C29H40N2O2.2ClH/c1-22-7-11-30(12-8-22)15-17-32-26-3-5-28-24(20-26)19-25-21-27(4-6-29(25)28)33-18-16-31-13-9-23(2)10-14-31;;/h3-6,20-23H,7-19H2,1-2H3;2*1H
InChIKeyFAQOAZXAMSHGDM-UHFFFAOYSA-N
MW521.57 g/mol
LogP6.32
Rot. Bonds8

About 4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride

4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride (PubChem CID 86567482) has the molecular formula C29H42Cl2N2O2 and a molecular weight of 521.57 g/mol. Its IUPAC name is 4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride
PubChem CID86567482
Molecular FormulaC29H42Cl2N2O2
Molecular Weight521.57 g/mol
Exact Mass520.26
IUPAC Name4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride
SMILESCC1CCN(CCOc2ccc3c(c2)Cc2cc(OCCN4CCC(C)CC4)ccc2-3)CC1.Cl.Cl
InChIInChI=1S/C29H40N2O2.2ClH/c1-22-7-11-30(12-8-22)15-17-32-26-3-5-28-24(20-26)19-25-21-27(4-6-29(25)28)33-18-16-31-13-9-23(2)10-14-31;;/h3-6,20-23H,7-19H2,1-2H3;2*1H
InChIKeyFAQOAZXAMSHGDM-UHFFFAOYSA-N
XLogP6.32
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.57
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride with MolForge

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Related Compounds

1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine
CID 86567481
4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine
CID 129300113
[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094
[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
CID 63623878
3-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63624650
1-[2-[4-(diphenylphosphorylmethyl)phenoxy]ethyl]-4-methylpiperidine
CID 138377362
4-[4-(4-methylpiperidin-1-yl)butoxy]benzonitrile;hydrochloride
CID 2993269
2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
3-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]prop-2-enoic acid
CID 78971549
1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2270730

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride?
The IUPAC name of 4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride (CID 86567482) is 4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride.
What is the SMILES notation for 4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride?
The canonical SMILES for 4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride is CC1CCN(CCOc2ccc3c(c2)Cc2cc(OCCN4CCC(C)CC4)ccc2-3)CC1.Cl.Cl.
What is the InChIKey of 4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride?
The InChIKey is FAQOAZXAMSHGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2O2.2ClH/c1-22-7-11-30(12-8-22)15-17-32-26-3-5-28-24(20-26)19-25-21-27(4-6-29(25)28)33-18-16-31-13-9-23(2)10-14-31;;/h3-6,20-23H,7-19H2,1-2H3;2*1H.
What are the key properties of 4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride?
4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride has a molecular weight of 521.57 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride is sourced from PubChem (CID 86567482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).