(4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone

C19H23F5N2O — CID 163354854

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2cccc(C(F)(F)F)c2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H23F5N2O/c20-18(21)6-9-26(10-7-18)17(27)15-4-2-8-25(13-15)12-14-3-1-5-16(11-14)19(22,23)24/h1,3,5,11,15H,2,4,6-10,12-13H2
InChIKeyPICSXUXRWNCODA-UHFFFAOYSA-N
MW390.40 g/mol
LogP4.18
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone (PubChem CID 163354854) has the molecular formula C19H23F5N2O and a molecular weight of 390.40 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone
PubChem CID163354854
Molecular FormulaC19H23F5N2O
Molecular Weight390.40 g/mol
Exact Mass390.17
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2cccc(C(F)(F)F)c2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H23F5N2O/c20-18(21)6-9-26(10-7-18)17(27)15-4-2-8-25(13-15)12-14-3-1-5-16(11-14)19(22,23)24/h1,3,5,11,15H,2,4,6-10,12-13H2
InChIKeyPICSXUXRWNCODA-UHFFFAOYSA-N
XLogP4.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
cyclohexyl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329676
[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 38104074
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 163357915
[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163357971
3-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 63386578
pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone
CID 25448752
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
[1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2931967
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 163354717

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone (CID 163354854) is (4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone is O=C(C1CCCN(Cc2cccc(C(F)(F)F)c2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone?
The InChIKey is PICSXUXRWNCODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F5N2O/c20-18(21)6-9-26(10-7-18)17(27)15-4-2-8-25(13-15)12-14-3-1-5-16(11-14)19(22,23)24/h1,3,5,11,15H,2,4,6-10,12-13H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone has a molecular weight of 390.40 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 163354854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).