(3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone

C19H20Cl2FN3O — CID 11795026

IUPAC(3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2ccccn2)CC1
InChIInChI=1S/C19H20Cl2FN3O/c20-16-5-4-14(11-17(16)21)18(26)25-9-6-19(22,7-10-25)13-23-12-15-3-1-2-8-24-15/h1-5,8,11,23H,6-7,9-10,12-13H2
InChIKeyUDPRXZLPQLNNTB-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.12
Rot. Bonds5

About (3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone (PubChem CID 11795026) has the molecular formula C19H20Cl2FN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone
PubChem CID11795026
Molecular FormulaC19H20Cl2FN3O
Molecular Weight396.29 g/mol
Exact Mass395.10
IUPAC Name(3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2ccccn2)CC1
InChIInChI=1S/C19H20Cl2FN3O/c20-16-5-4-14(11-17(16)21)18(26)25-9-6-19(22,7-10-25)13-23-12-15-3-1-2-8-24-15/h1-5,8,11,23H,6-7,9-10,12-13H2
InChIKeyUDPRXZLPQLNNTB-UHFFFAOYSA-N
XLogP4.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone (CID 11795026) is (3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2ccccn2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is UDPRXZLPQLNNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FN3O/c20-16-5-4-14(11-17(16)21)18(26)25-9-6-19(22,7-10-25)13-23-12-15-3-1-2-8-24-15/h1-5,8,11,23H,6-7,9-10,12-13H2.
What are the key properties of (3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 396.29 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-fluoro-4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 11795026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).