1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine

C40H42Cl2F4N2O2 — CID 134313482

IUPAC1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)c1cc(CN2CCCCC2)ccc1OCc1cccc(-c2cccc(COc3ccc(CN4CCCCC4)cc3C(F)F)c2Cl)c1Cl
InChIInChI=1S/C40H42Cl2F4N2O2/c41-37-29(25-49-35-15-13-27(21-33(35)39(43)44)23-47-17-3-1-4-18-47)9-7-11-31(37)32-12-8-10-30(38(32)42)26-50-36-16-14-28(22-34(36)40(45)46)24-48-19-5-2-6-20-48/h7-16,21-22,39-40H,1-6,17-20,23-26H2
InChIKeyNKSQUMDEYJTSTI-UHFFFAOYSA-N
MW729.69 g/mol
LogP11.67
Rot. Bonds13

About 1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine

1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine (PubChem CID 134313482) has the molecular formula C40H42Cl2F4N2O2 and a molecular weight of 729.69 g/mol. Its IUPAC name is 1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine
PubChem CID134313482
Molecular FormulaC40H42Cl2F4N2O2
Molecular Weight729.69 g/mol
Exact Mass728.26
IUPAC Name1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)c1cc(CN2CCCCC2)ccc1OCc1cccc(-c2cccc(COc3ccc(CN4CCCCC4)cc3C(F)F)c2Cl)c1Cl
InChIInChI=1S/C40H42Cl2F4N2O2/c41-37-29(25-49-35-15-13-27(21-33(35)39(43)44)23-47-17-3-1-4-18-47)9-7-11-31(37)32-12-8-10-30(38(32)42)26-50-36-16-14-28(22-34(36)40(45)46)24-48-19-5-2-6-20-48/h7-16,21-22,39-40H,1-6,17-20,23-26H2
InChIKeyNKSQUMDEYJTSTI-UHFFFAOYSA-N
XLogP11.67
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.69
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine with MolForge

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Related Compounds

1-[[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]methyl]piperidine
CID 134318280
1-[[3-bromo-4-[[2-methyl-3-[2-methyl-3-[[4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]methyl]piperidine
CID 134313085
1-[[3-chloro-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine;formic acid
CID 144804078
1-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine
CID 175987694
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 163391622
5-[[4-chloro-5-[[2-chloro-3-[2-methyl-3-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methoxy]-2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine-3-carbonitrile
CID 129049094
[2-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine
CID 16793650
2-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)benzoic acid;hydrochloride
CID 171385071
1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene
CID 107306903
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-ylpiperidine
CID 1375678
(2S)-1-[[4-[[3-[3-[[4-[[(2S)-2-carboxypiperidin-1-yl]methyl]-2-(difluoromethyl)phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid;3-(difluoromethyl)-4-[[3-[3-[[2-(difluoromethyl)-4-methoxyphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]benzaldehyde;(2S)-piperidine-2-carboxylic acid
CID 158085052

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine (CID 134313482) is 1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine is FC(F)c1cc(CN2CCCCC2)ccc1OCc1cccc(-c2cccc(COc3ccc(CN4CCCCC4)cc3C(F)F)c2Cl)c1Cl.
What is the InChIKey of 1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine?
The InChIKey is NKSQUMDEYJTSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42Cl2F4N2O2/c41-37-29(25-49-35-15-13-27(21-33(35)39(43)44)23-47-17-3-1-4-18-47)9-7-11-31(37)32-12-8-10-30(38(32)42)26-50-36-16-14-28(22-34(36)40(45)46)24-48-19-5-2-6-20-48/h7-16,21-22,39-40H,1-6,17-20,23-26H2.
What are the key properties of 1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine?
1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine has a molecular weight of 729.69 g/mol, XLogP of 11.67, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[2-chloro-3-[2-chloro-3-[[2-(difluoromethyl)-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]-3-(difluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 134313482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).