N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine

C21H27FN2 — CID 54229250

IUPACN,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine
SMILESCN(Cc1ccccc1)C1(CF)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27FN2/c1-23(16-19-8-4-2-5-9-19)21(18-22)12-14-24(15-13-21)17-20-10-6-3-7-11-20/h2-11H,12-18H2,1H3
InChIKeyQIBNULFEHSZVGZ-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.12
Rot. Bonds6

About N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine

N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine (PubChem CID 54229250) has the molecular formula C21H27FN2 and a molecular weight of 326.46 g/mol. Its IUPAC name is N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine
PubChem CID54229250
Molecular FormulaC21H27FN2
Molecular Weight326.46 g/mol
Exact Mass326.22
IUPAC NameN,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine
SMILESCN(Cc1ccccc1)C1(CF)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27FN2/c1-23(16-19-8-4-2-5-9-19)21(18-22)12-14-24(15-13-21)17-20-10-6-3-7-11-20/h2-11H,12-18H2,1H3
InChIKeyQIBNULFEHSZVGZ-UHFFFAOYSA-N
XLogP4.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol
CID 54376302
N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 113227822
4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine
CID 65078408
3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine
CID 62975093
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane
CID 138056197
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-(fluoromethyl)azepan-4-amine
CID 115041654
3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 61427796
3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine
CID 43294664
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CID 170703028

Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine?
The IUPAC name of N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine (CID 54229250) is N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine?
The canonical SMILES for N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine is CN(Cc1ccccc1)C1(CF)CCN(Cc2ccccc2)CC1.
What is the InChIKey of N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine?
The InChIKey is QIBNULFEHSZVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2/c1-23(16-19-8-4-2-5-9-19)21(18-22)12-14-24(15-13-21)17-20-10-6-3-7-11-20/h2-11H,12-18H2,1H3.
What are the key properties of N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine?
N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine has a molecular weight of 326.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 54229250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).