4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine

C10H19F3N2 — CID 134505395

IUPAC4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine
SMILESCC1C(N)CN(C(C)C)CC1C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-6(2)15-4-8(10(11,12)13)7(3)9(14)5-15/h6-9H,4-5,14H2,1-3H3
InChIKeyBICLZTIHONEPIT-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.85
Rot. Bonds1

About 4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine

4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine (PubChem CID 134505395) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine
PubChem CID134505395
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine
SMILESCC1C(N)CN(C(C)C)CC1C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-6(2)15-4-8(10(11,12)13)7(3)9(14)5-15/h6-9H,4-5,14H2,1-3H3
InChIKeyBICLZTIHONEPIT-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of 4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine (CID 134505395) is 4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for 4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for 4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine is CC1C(N)CN(C(C)C)CC1C(F)(F)F.
What is the InChIKey of 4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine?
The InChIKey is BICLZTIHONEPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-6(2)15-4-8(10(11,12)13)7(3)9(14)5-15/h6-9H,4-5,14H2,1-3H3.
What are the key properties of 4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine?
4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine has a molecular weight of 224.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 134505395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).