(3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine

C18H20F3N3O — CID 95724010

IUPAC(3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
SMILESCOc1ccc(N[C@@H]2CCCN(c3cc(C(F)(F)F)ccn3)C2)cc1
InChIInChI=1S/C18H20F3N3O/c1-25-16-6-4-14(5-7-16)23-15-3-2-10-24(12-15)17-11-13(8-9-22-17)18(19,20)21/h4-9,11,15,23H,2-3,10,12H2,1H3/t15-/m1/s1
InChIKeyTYWLHFFOGKYVBO-OAHLLOKOSA-N
MW351.37 g/mol
LogP4.19
Rot. Bonds4

About (3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine

(3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine (PubChem CID 95724010) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is (3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
PubChem CID95724010
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name(3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
SMILESCOc1ccc(N[C@@H]2CCCN(c3cc(C(F)(F)F)ccn3)C2)cc1
InChIInChI=1S/C18H20F3N3O/c1-25-16-6-4-14(5-7-16)23-15-3-2-10-24(12-15)17-11-13(8-9-22-17)18(19,20)21/h4-9,11,15,23H,2-3,10,12H2,1H3/t15-/m1/s1
InChIKeyTYWLHFFOGKYVBO-OAHLLOKOSA-N
XLogP4.19
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-amine
CID 133362377
N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 154737129
N-(3,5-dimethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 133362349
N-[[(3S)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide
CID 97221826
1-iodo-N-(4-methoxyphenyl)piperidin-3-amine
CID 166817113
(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 155915627
(3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine
CID 97349084
1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide
CID 66329242
N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 97221881
N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide
CID 166606013
2-[3-(3,5-dimethoxyanilino)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133362299
N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine
CID 166218977

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
The IUPAC name of (3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine (CID 95724010) is (3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for (3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for (3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine is COc1ccc(N[C@@H]2CCCN(c3cc(C(F)(F)F)ccn3)C2)cc1.
What is the InChIKey of (3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
The InChIKey is TYWLHFFOGKYVBO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-25-16-6-4-14(5-7-16)23-15-3-2-10-24(12-15)17-11-13(8-9-22-17)18(19,20)21/h4-9,11,15,23H,2-3,10,12H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
(3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine has a molecular weight of 351.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 95724010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).