N-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine

C15H25F3N4 — CID 69063756

IUPACN-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine
SMILESCC(C)CN(C1CCNCC1)C(C)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C15H25F3N4/c1-10(2)9-22(12-4-6-19-7-5-12)11(3)13-8-20-21-14(13)15(16,17)18/h8,10-12,19H,4-7,9H2,1-3H3,(H,20,21)
InChIKeyQEAZVOVRAXGCNT-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.20
Rot. Bonds5

About N-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine

N-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine (PubChem CID 69063756) has the molecular formula C15H25F3N4 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine
PubChem CID69063756
Molecular FormulaC15H25F3N4
Molecular Weight318.39 g/mol
Exact Mass318.20
IUPAC NameN-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine
SMILESCC(C)CN(C1CCNCC1)C(C)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C15H25F3N4/c1-10(2)9-22(12-4-6-19-7-5-12)11(3)13-8-20-21-14(13)15(16,17)18/h8,10-12,19H,4-7,9H2,1-3H3,(H,20,21)
InChIKeyQEAZVOVRAXGCNT-UHFFFAOYSA-N
XLogP3.20
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine?
The IUPAC name of N-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine (CID 69063756) is N-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine is CC(C)CN(C1CCNCC1)C(C)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine?
The InChIKey is QEAZVOVRAXGCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N4/c1-10(2)9-22(12-4-6-19-7-5-12)11(3)13-8-20-21-14(13)15(16,17)18/h8,10-12,19H,4-7,9H2,1-3H3,(H,20,21).
What are the key properties of N-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine?
N-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine has a molecular weight of 318.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine is sourced from PubChem (CID 69063756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).