(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride

C16H22ClF4N3O2 — CID 120816508

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CCC1N.Cl
InChIInChI=1S/C16H21F4N3O2.ClH/c1-15(2)8-23(6-5-11(15)21)13(24)10-3-4-12(22-7-10)25-9-16(19,20)14(17)18;/h3-4,7,11,14H,5-6,8-9,21H2,1-2H3;1H
InChIKeyQYRYBSJDCPWLAL-UHFFFAOYSA-N
MW399.82 g/mol
LogP2.98
Rot. Bonds5

About (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride (PubChem CID 120816508) has the molecular formula C16H22ClF4N3O2 and a molecular weight of 399.82 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride
PubChem CID120816508
Molecular FormulaC16H22ClF4N3O2
Molecular Weight399.82 g/mol
Exact Mass399.13
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CCC1N.Cl
InChIInChI=1S/C16H21F4N3O2.ClH/c1-15(2)8-23(6-5-11(15)21)13(24)10-3-4-12(22-7-10)25-9-16(19,20)14(17)18;/h3-4,7,11,14H,5-6,8-9,21H2,1-2H3;1H
InChIKeyQYRYBSJDCPWLAL-UHFFFAOYSA-N
XLogP2.98
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.82
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride with MolForge

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Related Compounds

2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid
CID 120515566
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
6-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 122113684
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
[(4S)-4-(dimethylamino)azepan-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 100636861
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 120819644
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 120814614
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 120817158
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120820264
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride (CID 120816508) is (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride is CC1(C)CN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CCC1N.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride?
The InChIKey is QYRYBSJDCPWLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N3O2.ClH/c1-15(2)8-23(6-5-11(15)21)13(24)10-3-4-12(22-7-10)25-9-16(19,20)14(17)18;/h3-4,7,11,14H,5-6,8-9,21H2,1-2H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride has a molecular weight of 399.82 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride is sourced from PubChem (CID 120816508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).