N-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine

C15H25F3N4 — CID 140512986

IUPACN-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
SMILESCC(C)CNC1CCN(Cc2cn(C)nc2C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N4/c1-11(2)8-19-13-4-6-22(7-5-13)10-12-9-21(3)20-14(12)15(16,17)18/h9,11,13,19H,4-8,10H2,1-3H3
InChIKeyPCNGYUIOYKZXAQ-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.65
Rot. Bonds5

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

N-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine (PubChem CID 140512986) has the molecular formula C15H25F3N4 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
PubChem CID140512986
Molecular FormulaC15H25F3N4
Molecular Weight318.39 g/mol
Exact Mass318.20
IUPAC NameN-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
SMILESCC(C)CNC1CCN(Cc2cn(C)nc2C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N4/c1-11(2)8-19-13-4-6-22(7-5-13)10-12-9-21(3)20-14(12)15(16,17)18/h9,11,13,19H,4-8,10H2,1-3H3
InChIKeyPCNGYUIOYKZXAQ-UHFFFAOYSA-N
XLogP2.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of N-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine (CID 140512986) is N-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine is CC(C)CNC1CCN(Cc2cn(C)nc2C(F)(F)F)CC1.
What is the InChIKey of N-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is PCNGYUIOYKZXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N4/c1-11(2)8-19-13-4-6-22(7-5-13)10-12-9-21(3)20-14(12)15(16,17)18/h9,11,13,19H,4-8,10H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine?
N-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 318.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 140512986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).