5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine

C16H16Cl2FN3O — CID 154829675

IUPAC5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine
SMILESFc1cc(Cl)cnc1N1CCC(COc2ccncc2Cl)CC1
InChIInChI=1S/C16H16Cl2FN3O/c17-12-7-14(19)16(21-8-12)22-5-2-11(3-6-22)10-23-15-1-4-20-9-13(15)18/h1,4,7-9,11H,2-3,5-6,10H2
InChIKeyOCHZAZHWPDZZAE-UHFFFAOYSA-N
MW356.23 g/mol
LogP4.22
Rot. Bonds4

About 5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine

5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine (PubChem CID 154829675) has the molecular formula C16H16Cl2FN3O and a molecular weight of 356.23 g/mol. Its IUPAC name is 5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine.

Molecular Properties

Compound Name5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine
PubChem CID154829675
Molecular FormulaC16H16Cl2FN3O
Molecular Weight356.23 g/mol
Exact Mass355.07
IUPAC Name5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine
SMILESFc1cc(Cl)cnc1N1CCC(COc2ccncc2Cl)CC1
InChIInChI=1S/C16H16Cl2FN3O/c17-12-7-14(19)16(21-8-12)22-5-2-11(3-6-22)10-23-15-1-4-20-9-13(15)18/h1,4,7-9,11H,2-3,5-6,10H2
InChIKeyOCHZAZHWPDZZAE-UHFFFAOYSA-N
XLogP4.22
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 154829498
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
3-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 154829519
4-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-cyclopropylpyrimidine
CID 154829517
3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine
CID 155801188
4-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-ethylpyrimidine
CID 154829545
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154830114
5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine
CID 58431434
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-methylacetamide
CID 163357267
3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 71977831
3-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 163356784
N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691551

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine?
The IUPAC name of 5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine (CID 154829675) is 5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine.
What is the SMILES notation for 5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine?
The canonical SMILES for 5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine is Fc1cc(Cl)cnc1N1CCC(COc2ccncc2Cl)CC1.
What is the InChIKey of 5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine?
The InChIKey is OCHZAZHWPDZZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN3O/c17-12-7-14(19)16(21-8-12)22-5-2-11(3-6-22)10-23-15-1-4-20-9-13(15)18/h1,4,7-9,11H,2-3,5-6,10H2.
What are the key properties of 5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine?
5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine has a molecular weight of 356.23 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine is sourced from PubChem (CID 154829675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).