(4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride

C19H22ClF2N3O2 — CID 119373495

IUPAC(4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C19H21F2N3O2.ClH/c20-19(21)26-15-7-5-14(6-8-15)23-17-4-2-1-3-16(17)18(25)24-11-9-13(22)10-12-24;/h1-8,13,19,23H,9-12,22H2;1H
InChIKeyNVMNACBLKNJCGR-UHFFFAOYSA-N
MW397.85 g/mol
LogP4.02
Rot. Bonds5

About (4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride (PubChem CID 119373495) has the molecular formula C19H22ClF2N3O2 and a molecular weight of 397.85 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride
PubChem CID119373495
Molecular FormulaC19H22ClF2N3O2
Molecular Weight397.85 g/mol
Exact Mass397.14
IUPAC Name(4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C19H21F2N3O2.ClH/c20-19(21)26-15-7-5-14(6-8-15)23-17-4-2-1-3-16(17)18(25)24-11-9-13(22)10-12-24;/h1-8,13,19,23H,9-12,22H2;1H
InChIKeyNVMNACBLKNJCGR-UHFFFAOYSA-N
XLogP4.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.85
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride with MolForge

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Related Compounds

methyl 1-[2-[4-(difluoromethoxy)anilino]benzoyl]piperidine-4-carboxylate
CID 60605734
1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
CID 51210779
1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397745
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306
[2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 134008336
[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488520
[2-[4-(difluoromethoxy)anilino]phenyl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 55396603
[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
CID 56532436
2-[4-(difluoromethoxy)anilino]benzoic acid
CID 2398458
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride
CID 119517512
[2-[4-(difluoromethoxy)anilino]phenyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95585620
(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644674

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride (CID 119373495) is (4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride is Cl.NC1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride?
The InChIKey is NVMNACBLKNJCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2.ClH/c20-19(21)26-15-7-5-14(6-8-15)23-17-4-2-1-3-16(17)18(25)24-11-9-13(22)10-12-24;/h1-8,13,19,23H,9-12,22H2;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride has a molecular weight of 397.85 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride is sourced from PubChem (CID 119373495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).