2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone

C17H22ClF2N3O — CID 171992936

IUPAC2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone
SMILESO=C(CC1CCN(c2ccncc2Cl)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H22ClF2N3O/c18-14-12-21-6-1-15(14)22-7-2-13(3-8-22)11-16(24)23-9-4-17(19,20)5-10-23/h1,6,12-13H,2-5,7-11H2
InChIKeyOIKHLHHNUXZEKA-UHFFFAOYSA-N
MW357.83 g/mol
LogP3.60
Rot. Bonds3

About 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone

2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone (PubChem CID 171992936) has the molecular formula C17H22ClF2N3O and a molecular weight of 357.83 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone
PubChem CID171992936
Molecular FormulaC17H22ClF2N3O
Molecular Weight357.83 g/mol
Exact Mass357.14
IUPAC Name2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone
SMILESO=C(CC1CCN(c2ccncc2Cl)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H22ClF2N3O/c18-14-12-21-6-1-15(14)22-7-2-13(3-8-22)11-16(24)23-9-4-17(19,20)5-10-23/h1,6,12-13H,2-5,7-11H2
InChIKeyOIKHLHHNUXZEKA-UHFFFAOYSA-N
XLogP3.60
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133351756
3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 171992777
1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone
CID 171992794
1-(4,4-difluoropiperidin-1-yl)-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone
CID 171993025
3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 71977831
4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide
CID 125493454
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81243873
3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 155975805
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-[(1R)-2,2-dichlorocyclopropyl]methanone
CID 97242539
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
3-chloro-4-[4-(1-chloroethyl)piperidin-1-yl]pyridine
CID 106838460
2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone?
The IUPAC name of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone (CID 171992936) is 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone?
The canonical SMILES for 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone is O=C(CC1CCN(c2ccncc2Cl)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone?
The InChIKey is OIKHLHHNUXZEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClF2N3O/c18-14-12-21-6-1-15(14)22-7-2-13(3-8-22)11-16(24)23-9-4-17(19,20)5-10-23/h1,6,12-13H,2-5,7-11H2.
What are the key properties of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone?
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone has a molecular weight of 357.83 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone is sourced from PubChem (CID 171992936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).