4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine

C15H18F3N5 — CID 124889899

IUPAC4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)ccn1
InChIInChI=1S/C15H18F3N5/c16-15(17,18)12-7-21-14(22-12)11-2-1-5-23(9-11)8-10-3-4-20-13(19)6-10/h3-4,6-7,11H,1-2,5,8-9H2,(H2,19,20)(H,21,22)/t11-/m1/s1
InChIKeyKNJYCDAIHUDZBK-LLVKDONJSA-N
MW325.34 g/mol
LogP2.79
Rot. Bonds3

About 4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine

4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine (PubChem CID 124889899) has the molecular formula C15H18F3N5 and a molecular weight of 325.34 g/mol. Its IUPAC name is 4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine
PubChem CID124889899
Molecular FormulaC15H18F3N5
Molecular Weight325.34 g/mol
Exact Mass325.15
IUPAC Name4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)ccn1
InChIInChI=1S/C15H18F3N5/c16-15(17,18)12-7-21-14(22-12)11-2-1-5-23(9-11)8-10-3-4-20-13(19)6-10/h3-4,6-7,11H,1-2,5,8-9H2,(H2,19,20)(H,21,22)/t11-/m1/s1
InChIKeyKNJYCDAIHUDZBK-LLVKDONJSA-N
XLogP2.79
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine with MolForge

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Related Compounds

2-fluoro-4-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile
CID 100670320
4-[[(3R)-3-pyridin-4-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 129345169
3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrazine
CID 129001837
2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile
CID 100670291
2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile
CID 128963917
4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 124626355
2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107167021
3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine
CID 71999804
2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 124850659
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 63165878
1,2-oxazol-3-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128996053
4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633710

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine (CID 124889899) is 4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine is Nc1cc(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)ccn1.
What is the InChIKey of 4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is KNJYCDAIHUDZBK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18F3N5/c16-15(17,18)12-7-21-14(22-12)11-2-1-5-23(9-11)8-10-3-4-20-13(19)6-10/h3-4,6-7,11H,1-2,5,8-9H2,(H2,19,20)(H,21,22)/t11-/m1/s1.
What are the key properties of 4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine?
4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 325.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 124889899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).