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

C19H28ClF3N4O — CID 120820185

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)C2CCCN(c3ncccc3C(F)(F)F)C2)CCC1N.Cl
InChIInChI=1S/C19H27F3N4O.ClH/c1-18(2)12-26(10-7-15(18)23)17(27)13-5-4-9-25(11-13)16-14(19(20,21)22)6-3-8-24-16;/h3,6,8,13,15H,4-5,7,9-12,23H2,1-2H3;1H
InChIKeyHATDJMVIWMBPIN-UHFFFAOYSA-N
MW420.91 g/mol
LogP3.32
Rot. Bonds2

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

(4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride (PubChem CID 120820185) has the molecular formula C19H28ClF3N4O and a molecular weight of 420.91 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride
PubChem CID120820185
Molecular FormulaC19H28ClF3N4O
Molecular Weight420.91 g/mol
Exact Mass420.19
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)C2CCCN(c3ncccc3C(F)(F)F)C2)CCC1N.Cl
InChIInChI=1S/C19H27F3N4O.ClH/c1-18(2)12-26(10-7-15(18)23)17(27)13-5-4-9-25(11-13)16-14(19(20,21)22)6-3-8-24-16;/h3,6,8,13,15H,4-5,7,9-12,23H2,1-2H3;1H
InChIKeyHATDJMVIWMBPIN-UHFFFAOYSA-N
XLogP3.32
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.91
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 46472494
(3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 124686664
N-phenyl-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]piperidine-3-carboxamide
CID 55719268
4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 126813338
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55718313
[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 97261871
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 171992769
methyl 2-[[(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 51955858
N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55758731
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 55998612

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride (CID 120820185) is (4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride is CC1(C)CN(C(=O)C2CCCN(c3ncccc3C(F)(F)F)C2)CCC1N.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride?
The InChIKey is HATDJMVIWMBPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O.ClH/c1-18(2)12-26(10-7-15(18)23)17(27)13-5-4-9-25(11-13)16-14(19(20,21)22)6-3-8-24-16;/h3,6,8,13,15H,4-5,7,9-12,23H2,1-2H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride has a molecular weight of 420.91 g/mol, XLogP of 3.32, 2 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)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 120820185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).