(3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone

C19H19Cl2F2N3O — CID 10024776

IUPAC(3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H19Cl2F2N3O/c20-14-2-3-15(25-10-14)11-24-12-19(23)5-7-26(8-6-19)18(27)13-1-4-17(22)16(21)9-13/h1-4,9-10,24H,5-8,11-12H2
InChIKeySALDQMKGRXMXGW-UHFFFAOYSA-N
MW414.28 g/mol
LogP4.26
Rot. Bonds5

About (3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone

(3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone (PubChem CID 10024776) has the molecular formula C19H19Cl2F2N3O and a molecular weight of 414.28 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
PubChem CID10024776
Molecular FormulaC19H19Cl2F2N3O
Molecular Weight414.28 g/mol
Exact Mass413.09
IUPAC Name(3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H19Cl2F2N3O/c20-14-2-3-15(25-10-14)11-24-12-19(23)5-7-26(8-6-19)18(27)13-1-4-17(22)16(21)9-13/h1-4,9-10,24H,5-8,11-12H2
InChIKeySALDQMKGRXMXGW-UHFFFAOYSA-N
XLogP4.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.28
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone (CID 10024776) is (3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone is O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2ccc(Cl)cn2)CC1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone?
The InChIKey is SALDQMKGRXMXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F2N3O/c20-14-2-3-15(25-10-14)11-24-12-19(23)5-7-26(8-6-19)18(27)13-1-4-17(22)16(21)9-13/h1-4,9-10,24H,5-8,11-12H2.
What are the key properties of (3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone?
(3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone has a molecular weight of 414.28 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone is sourced from PubChem (CID 10024776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).