(3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone

C20H21Cl2FN2O — CID 10500880

IUPAC(3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(F)c2)CC1
InChIInChI=1S/C20H21Cl2FN2O/c21-18-5-4-16(11-19(18)22)20(26)25-8-6-14(7-9-25)12-24-13-15-2-1-3-17(23)10-15/h1-5,10-11,14,24H,6-9,12-13H2
InChIKeyNAGGFFXOIDKWHU-UHFFFAOYSA-N
MW395.31 g/mol
LogP4.77
Rot. Bonds5

About (3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10500880) has the molecular formula C20H21Cl2FN2O and a molecular weight of 395.31 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10500880
Molecular FormulaC20H21Cl2FN2O
Molecular Weight395.31 g/mol
Exact Mass394.10
IUPAC Name(3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(F)c2)CC1
InChIInChI=1S/C20H21Cl2FN2O/c21-18-5-4-16(11-19(18)22)20(26)25-8-6-14(7-9-25)12-24-13-15-2-1-3-17(23)10-15/h1-5,10-11,14,24H,6-9,12-13H2
InChIKeyNAGGFFXOIDKWHU-UHFFFAOYSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Saredutant
CID 104974
U-47700
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Z944
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CID 73442861
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
1-Benzyl-4-(3-chlorobenzoyl)piperazine
CID 720140
1-(3-Chlorobenzoyl)piperazine
CID 1074765
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CID 41306362
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
Benzamide derivative 8
CID 118607347
(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
Benzamide,N-[4-[4-(acetylamino)-4-phenyl-1-piperidinyl]-2-(3,4-dichlorophenyl)butyl]-N-methyl-
CID 9850582

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone (CID 10500880) is (3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(F)c2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is NAGGFFXOIDKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN2O/c21-18-5-4-16(11-19(18)22)20(26)25-8-6-14(7-9-25)12-24-13-15-2-1-3-17(23)10-15/h1-5,10-11,14,24H,6-9,12-13H2.
What are the key properties of (3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 395.31 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10500880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).