[6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid

C14H20F3N3O3 — CID 146272566

IUPAC[6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid
SMILESCc1cc(NC2CCNCC2)cc(CO)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H19N3O.C2HF3O2/c1-9-6-11(7-12(8-16)14-9)15-10-2-4-13-5-3-10;3-2(4,5)1(6)7/h6-7,10,13,16H,2-5,8H2,1H3,(H,14,15);(H,6,7)
InChIKeyMWKKCSPPQFIEEF-UHFFFAOYSA-N
MW335.33 g/mol
LogP1.68
Rot. Bonds3

About [6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid

[6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid (PubChem CID 146272566) has the molecular formula C14H20F3N3O3 and a molecular weight of 335.33 g/mol. Its IUPAC name is [6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid
PubChem CID146272566
Molecular FormulaC14H20F3N3O3
Molecular Weight335.33 g/mol
Exact Mass335.15
IUPAC Name[6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid
SMILESCc1cc(NC2CCNCC2)cc(CO)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H19N3O.C2HF3O2/c1-9-6-11(7-12(8-16)14-9)15-10-2-4-13-5-3-10;3-2(4,5)1(6)7/h6-7,10,13,16H,2-5,8H2,1H3,(H,14,15);(H,6,7)
InChIKeyMWKKCSPPQFIEEF-UHFFFAOYSA-N
XLogP1.68
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid
CID 146272560
4-methyl-N-piperidin-4-ylisoquinolin-5-amine;bis(2,2,2-trifluoroacetic acid)
CID 117073173
3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175710923
1-methyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
CID 174864512
1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
CID 174864517
3-[(4,6-dimethyl-2-pyridinyl)amino]-5-(piperidin-4-ylamino)pyridine-2-carboxamide
CID 90354419
2-ethyl-6-methyl-N-piperidin-4-ylpyrimidin-4-amine
CID 94075343
N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 167903662
2-chloro-6-methyl-N-piperidin-4-ylpyrimidin-4-amine
CID 59210366
6-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 115025325
5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154891187
4-methyl-N-pyrrolidin-3-ylisoquinolin-5-amine;bis(2,2,2-trifluoroacetic acid)
CID 117073213

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of [6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid (CID 146272566) is [6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for [6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid is Cc1cc(NC2CCNCC2)cc(CO)n1.O=C(O)C(F)(F)F.
What is the InChIKey of [6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid?
The InChIKey is MWKKCSPPQFIEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.C2HF3O2/c1-9-6-11(7-12(8-16)14-9)15-10-2-4-13-5-3-10;3-2(4,5)1(6)7/h6-7,10,13,16H,2-5,8H2,1H3,(H,14,15);(H,6,7).
What are the key properties of [6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid?
[6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid has a molecular weight of 335.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(piperidin-4-ylamino)-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146272566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).