1-methyl-4-(trifluoromethyl)piperidin-4-amine

C7H13F3N2 — CID 63897720

IUPAC1-methyl-4-(trifluoromethyl)piperidin-4-amine
SMILESCN1CCC(N)(C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2/c1-12-4-2-6(11,3-5-12)7(8,9)10/h2-5,11H2,1H3
InChIKeyKHTYFXZCQFKUQR-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.97
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)piperidin-4-amine

1-methyl-4-(trifluoromethyl)piperidin-4-amine (PubChem CID 63897720) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)piperidin-4-amine
PubChem CID63897720
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name1-methyl-4-(trifluoromethyl)piperidin-4-amine
SMILESCN1CCC(N)(C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2/c1-12-4-2-6(11,3-5-12)7(8,9)10/h2-5,11H2,1H3
InChIKeyKHTYFXZCQFKUQR-UHFFFAOYSA-N
XLogP0.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)piperidin-4-amine?
The IUPAC name of 1-methyl-4-(trifluoromethyl)piperidin-4-amine (CID 63897720) is 1-methyl-4-(trifluoromethyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)piperidin-4-amine is CN1CCC(N)(C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)piperidin-4-amine?
The InChIKey is KHTYFXZCQFKUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-12-4-2-6(11,3-5-12)7(8,9)10/h2-5,11H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)piperidin-4-amine?
1-methyl-4-(trifluoromethyl)piperidin-4-amine has a molecular weight of 182.19 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)piperidin-4-amine is sourced from PubChem (CID 63897720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).