(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone

C20H23Cl2FN4O — CID 10670050

IUPAC(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESCNc1cccc(CNCC2(F)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C20H23Cl2FN4O/c1-24-18-4-2-3-15(26-18)12-25-13-20(23)7-9-27(10-8-20)19(28)14-5-6-16(21)17(22)11-14/h2-6,11,25H,7-10,12-13H2,1H3,(H,24,26)
InChIKeyNDYWHACDLHAKHK-UHFFFAOYSA-N
MW425.34 g/mol
LogP4.16
Rot. Bonds6

About (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10670050) has the molecular formula C20H23Cl2FN4O and a molecular weight of 425.34 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10670050
Molecular FormulaC20H23Cl2FN4O
Molecular Weight425.34 g/mol
Exact Mass424.12
IUPAC Name(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESCNc1cccc(CNCC2(F)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C20H23Cl2FN4O/c1-24-18-4-2-3-15(26-18)12-25-13-20(23)7-9-27(10-8-20)19(28)14-5-6-16(21)17(22)11-14/h2-6,11,25H,7-10,12-13H2,1H3,(H,24,26)
InChIKeyNDYWHACDLHAKHK-UHFFFAOYSA-N
XLogP4.16
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (CID 10670050) is (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is CNc1cccc(CNCC2(F)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is NDYWHACDLHAKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2FN4O/c1-24-18-4-2-3-15(26-18)12-25-13-20(23)7-9-27(10-8-20)19(28)14-5-6-16(21)17(22)11-14/h2-6,11,25H,7-10,12-13H2,1H3,(H,24,26).
What are the key properties of (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 425.34 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10670050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).