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

C15H18F3N5 — CID 124626355

IUPAC4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccn1
InChIInChI=1S/C15H18F3N5/c16-15(17,18)13-4-7-23(21-13)12-2-1-6-22(10-12)9-11-3-5-20-14(19)8-11/h3-5,7-8,12H,1-2,6,9-10H2,(H2,19,20)/t12-/m1/s1
InChIKeyZYHUEJABEVBHKS-GFCCVEGCSA-N
MW325.34 g/mol
LogP2.72
Rot. Bonds3

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

4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine (PubChem CID 124626355) has the molecular formula C15H18F3N5 and a molecular weight of 325.34 g/mol. Its IUPAC name is 4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine
PubChem CID124626355
Molecular FormulaC15H18F3N5
Molecular Weight325.34 g/mol
Exact Mass325.15
IUPAC Name4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccn1
InChIInChI=1S/C15H18F3N5/c16-15(17,18)13-4-7-23(21-13)12-2-1-6-22(10-12)9-11-3-5-20-14(19)8-11/h3-5,7-8,12H,1-2,6,9-10H2,(H2,19,20)/t12-/m1/s1
InChIKeyZYHUEJABEVBHKS-GFCCVEGCSA-N
XLogP2.72
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]benzoic acid
CID 122032737
N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838934
2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124616399
4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 124889899
2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124616403
(3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 124721687
4-[[(3R)-3-pyridin-4-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 129345169
N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine
CID 124625051
2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107167021
4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
CID 133450762
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 63165878
4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633710

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine (CID 124626355) is 4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine is Nc1cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccn1.
What is the InChIKey of 4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is ZYHUEJABEVBHKS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18F3N5/c16-15(17,18)13-4-7-23(21-13)12-2-1-6-22(10-12)9-11-3-5-20-14(19)8-11/h3-5,7-8,12H,1-2,6,9-10H2,(H2,19,20)/t12-/m1/s1.
What are the key properties of 4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine?
4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 325.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 124626355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).