[4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride

C13H18Cl2F3N3O — CID 119423684

IUPAC[4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
SMILESCl.Cl.NCC1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C13H16F3N3O.2ClH/c14-13(15,16)11-2-1-10(8-18-11)12(20)19-5-3-9(7-17)4-6-19;;/h1-2,8-9H,3-7,17H2;2*1H
InChIKeyYZFNUQNBUARNOE-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.75
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride

[4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride (PubChem CID 119423684) has the molecular formula C13H18Cl2F3N3O and a molecular weight of 360.21 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
PubChem CID119423684
Molecular FormulaC13H18Cl2F3N3O
Molecular Weight360.21 g/mol
Exact Mass359.08
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
SMILESCl.Cl.NCC1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C13H16F3N3O.2ClH/c14-13(15,16)11-2-1-10(8-18-11)12(20)19-5-3-9(7-17)4-6-19;;/h1-2,8-9H,3-7,17H2;2*1H
InChIKeyYZFNUQNBUARNOE-UHFFFAOYSA-N
XLogP2.75
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
3-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]cyclobutan-1-one
CID 138978128
phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 33497333
4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899694
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
[4-(aminomethyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone;hydrochloride
CID 119423969
[4-(aminomethyl)piperidin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone;hydrochloride
CID 119423356
(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 24688123
(4-benzylpiperazin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 30773012

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride (CID 119423684) is [4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride is Cl.Cl.NCC1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride?
The InChIKey is YZFNUQNBUARNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O.2ClH/c14-13(15,16)11-2-1-10(8-18-11)12(20)19-5-3-9(7-17)4-6-19;;/h1-2,8-9H,3-7,17H2;2*1H.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride?
[4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride has a molecular weight of 360.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride is sourced from PubChem (CID 119423684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).