4-(trifluoromethyl)piperidin-1-amine;dihydrochloride

C6H13Cl2F3N2 — CID 122163370

IUPAC4-(trifluoromethyl)piperidin-1-amine;dihydrochloride
SMILESCl.Cl.NN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C6H11F3N2.2ClH/c7-6(8,9)5-1-3-11(10)4-2-5;;/h5H,1-4,10H2;2*1H
InChIKeyYHBRNUATGQDUPA-UHFFFAOYSA-N
MW241.08 g/mol
LogP1.98
Rot. Bonds

About 4-(trifluoromethyl)piperidin-1-amine;dihydrochloride

4-(trifluoromethyl)piperidin-1-amine;dihydrochloride (PubChem CID 122163370) has the molecular formula C6H13Cl2F3N2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 4-(trifluoromethyl)piperidin-1-amine;dihydrochloride.

Molecular Properties

Compound Name4-(trifluoromethyl)piperidin-1-amine;dihydrochloride
PubChem CID122163370
Molecular FormulaC6H13Cl2F3N2
Molecular Weight241.08 g/mol
Exact Mass240.04
IUPAC Name4-(trifluoromethyl)piperidin-1-amine;dihydrochloride
SMILESCl.Cl.NN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C6H11F3N2.2ClH/c7-6(8,9)5-1-3-11(10)4-2-5;;/h5H,1-4,10H2;2*1H
InChIKeyYHBRNUATGQDUPA-UHFFFAOYSA-N
XLogP1.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 51.98
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 4-(trifluoromethyl)piperidin-1-amine;dihydrochloride?
The IUPAC name of 4-(trifluoromethyl)piperidin-1-amine;dihydrochloride (CID 122163370) is 4-(trifluoromethyl)piperidin-1-amine;dihydrochloride.
What is the SMILES notation for 4-(trifluoromethyl)piperidin-1-amine;dihydrochloride?
The canonical SMILES for 4-(trifluoromethyl)piperidin-1-amine;dihydrochloride is Cl.Cl.NN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethyl)piperidin-1-amine;dihydrochloride?
The InChIKey is YHBRNUATGQDUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2.2ClH/c7-6(8,9)5-1-3-11(10)4-2-5;;/h5H,1-4,10H2;2*1H.
What are the key properties of 4-(trifluoromethyl)piperidin-1-amine;dihydrochloride?
4-(trifluoromethyl)piperidin-1-amine;dihydrochloride has a molecular weight of 241.08 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)piperidin-1-amine;dihydrochloride is sourced from PubChem (CID 122163370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).