(3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine

C7H10F6N2 — CID 135137655

IUPAC(3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine
SMILESNN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H10F6N2/c8-6(9,10)4-1-5(7(11,12)13)3-15(14)2-4/h4-5H,1-3,14H2/t4-,5+
InChIKeySSQJSTGVRTWVGA-SYDPRGILSA-N
MW236.16 g/mol
LogP1.92
Rot. Bonds

About (3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine

(3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine (PubChem CID 135137655) has the molecular formula C7H10F6N2 and a molecular weight of 236.16 g/mol. Its IUPAC name is (3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine.

Molecular Properties

Compound Name(3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine
PubChem CID135137655
Molecular FormulaC7H10F6N2
Molecular Weight236.16 g/mol
Exact Mass236.07
IUPAC Name(3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine
SMILESNN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H10F6N2/c8-6(9,10)4-1-5(7(11,12)13)3-15(14)2-4/h4-5H,1-3,14H2/t4-,5+
InChIKeySSQJSTGVRTWVGA-SYDPRGILSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine?
The IUPAC name of (3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine (CID 135137655) is (3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine.
What is the SMILES notation for (3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine?
The canonical SMILES for (3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine is NN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1.
What is the InChIKey of (3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine?
The InChIKey is SSQJSTGVRTWVGA-SYDPRGILSA-N. The full InChI is InChI=1S/C7H10F6N2/c8-6(9,10)4-1-5(7(11,12)13)3-15(14)2-4/h4-5H,1-3,14H2/t4-,5+.
What are the key properties of (3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine?
(3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine has a molecular weight of 236.16 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine is sourced from PubChem (CID 135137655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).