4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride

C18H28Cl2F2N2 — CID 170994889

IUPAC4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride
SMILESCc1ccc(CN2CCC(F)(F)CC2)c(C2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C18H26F2N2.2ClH/c1-14-2-3-16(13-22-10-6-18(19,20)7-11-22)17(12-14)15-4-8-21-9-5-15;;/h2-3,12,15,21H,4-11,13H2,1H3;2*1H
InChIKeyARSTXZCYKAODAU-UHFFFAOYSA-N
MW381.34 g/mol
LogP4.54
Rot. Bonds3

About 4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride

4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride (PubChem CID 170994889) has the molecular formula C18H28Cl2F2N2 and a molecular weight of 381.34 g/mol. Its IUPAC name is 4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride
PubChem CID170994889
Molecular FormulaC18H28Cl2F2N2
Molecular Weight381.34 g/mol
Exact Mass380.16
IUPAC Name4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride
SMILESCc1ccc(CN2CCC(F)(F)CC2)c(C2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C18H26F2N2.2ClH/c1-14-2-3-16(13-22-10-6-18(19,20)7-11-22)17(12-14)15-4-8-21-9-5-15;;/h2-3,12,15,21H,4-11,13H2,1H3;2*1H
InChIKeyARSTXZCYKAODAU-UHFFFAOYSA-N
XLogP4.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride
CID 170994863
1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine
CID 170994872
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
N,N-dimethyl-1-(5-methyl-2-piperidin-4-ylphenyl)methanamine;ethane
CID 166120310
4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine
CID 155201567
5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
4-(2-fluoro-5-methylphenyl)azepane
CID 83262245
1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride
CID 130367096
3-cyclobutyl-6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylnaphthalen-1-yl)benzenethiol
CID 177032427
2-[(2,4-dimethylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907707
N,5-dimethyl-2-piperidin-4-ylaniline;ethane
CID 166120568
N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane
CID 155709393

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride?
The IUPAC name of 4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride (CID 170994889) is 4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride.
What is the SMILES notation for 4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride?
The canonical SMILES for 4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride is Cc1ccc(CN2CCC(F)(F)CC2)c(C2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride?
The InChIKey is ARSTXZCYKAODAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2.2ClH/c1-14-2-3-16(13-22-10-6-18(19,20)7-11-22)17(12-14)15-4-8-21-9-5-15;;/h2-3,12,15,21H,4-11,13H2,1H3;2*1H.
What are the key properties of 4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride?
4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride has a molecular weight of 381.34 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride is sourced from PubChem (CID 170994889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).