N-(trifluoromethyl)piperidin-3-amine;hydrochloride

C6H12ClF3N2 — CID 145336468

IUPACN-(trifluoromethyl)piperidin-3-amine;hydrochloride
SMILESCl.FC(F)(F)NC1CCCNC1
InChIInChI=1S/C6H11F3N2.ClH/c7-6(8,9)11-5-2-1-3-10-4-5;/h5,10-11H,1-4H2;1H
InChIKeyCMIGANJWGRQTGI-UHFFFAOYSA-N
MW204.62 g/mol
LogP1.27
Rot. Bonds1

About N-(trifluoromethyl)piperidin-3-amine;hydrochloride

N-(trifluoromethyl)piperidin-3-amine;hydrochloride (PubChem CID 145336468) has the molecular formula C6H12ClF3N2 and a molecular weight of 204.62 g/mol. Its IUPAC name is N-(trifluoromethyl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(trifluoromethyl)piperidin-3-amine;hydrochloride
PubChem CID145336468
Molecular FormulaC6H12ClF3N2
Molecular Weight204.62 g/mol
Exact Mass204.06
IUPAC NameN-(trifluoromethyl)piperidin-3-amine;hydrochloride
SMILESCl.FC(F)(F)NC1CCCNC1
InChIInChI=1S/C6H11F3N2.ClH/c7-6(8,9)11-5-2-1-3-10-4-5;/h5,10-11H,1-4H2;1H
InChIKeyCMIGANJWGRQTGI-UHFFFAOYSA-N
XLogP1.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)piperidin-3-amine;hydrochloride?
The IUPAC name of N-(trifluoromethyl)piperidin-3-amine;hydrochloride (CID 145336468) is N-(trifluoromethyl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for N-(trifluoromethyl)piperidin-3-amine;hydrochloride?
The canonical SMILES for N-(trifluoromethyl)piperidin-3-amine;hydrochloride is Cl.FC(F)(F)NC1CCCNC1.
What is the InChIKey of N-(trifluoromethyl)piperidin-3-amine;hydrochloride?
The InChIKey is CMIGANJWGRQTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2.ClH/c7-6(8,9)11-5-2-1-3-10-4-5;/h5,10-11H,1-4H2;1H.
What are the key properties of N-(trifluoromethyl)piperidin-3-amine;hydrochloride?
N-(trifluoromethyl)piperidin-3-amine;hydrochloride has a molecular weight of 204.62 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 145336468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).