1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine

C20H29F4N3 — CID 150600685

IUPAC1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2ccc(C(F)(F)F)c(N3CCC(F)CC3)c2)CC1
InChIInChI=1S/C20H29F4N3/c1-19(25-2)7-11-26(12-8-19)14-15-3-4-17(20(22,23)24)18(13-15)27-9-5-16(21)6-10-27/h3-4,13,16,25H,5-12,14H2,1-2H3
InChIKeyIRUSFMUOVVQWHE-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.22
Rot. Bonds4

About 1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine

1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 150600685) has the molecular formula C20H29F4N3 and a molecular weight of 387.47 g/mol. Its IUPAC name is 1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine
PubChem CID150600685
Molecular FormulaC20H29F4N3
Molecular Weight387.47 g/mol
Exact Mass387.23
IUPAC Name1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2ccc(C(F)(F)F)c(N3CCC(F)CC3)c2)CC1
InChIInChI=1S/C20H29F4N3/c1-19(25-2)7-11-26(12-8-19)14-15-3-4-17(20(22,23)24)18(13-15)27-9-5-16(21)6-10-27/h3-4,13,16,25H,5-12,14H2,1-2H3
InChIKeyIRUSFMUOVVQWHE-UHFFFAOYSA-N
XLogP4.22
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 115304018
2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
CID 113282904
1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 113283047
1-[2-(trifluoromethyl)-5-[[2-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]phenyl]piperidine-4-carboxylic acid
CID 157258141
1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 113282864
N-[1-[4-[[3-[(3R)-3-fluoropyrrolidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 142483158
N-[1-[4-[[3-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 139413346
4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 115305378
N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine
CID 115304080
1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115305374
N-[1-[(3S)-4-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 146517661
4-[(4-ethylazepan-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 82965038

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine (CID 150600685) is 1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(Cc2ccc(C(F)(F)F)c(N3CCC(F)CC3)c2)CC1.
What is the InChIKey of 1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is IRUSFMUOVVQWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F4N3/c1-19(25-2)7-11-26(12-8-19)14-15-3-4-17(20(22,23)24)18(13-15)27-9-5-16(21)6-10-27/h3-4,13,16,25H,5-12,14H2,1-2H3.
What are the key properties of 1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine?
1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 387.47 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 150600685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).