N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid

C9H17F3N2O2 — CID 67240702

IUPACN,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCNC1(C)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2.C2HF3O2/c1-7(8-2)3-5-9-6-4-7;3-2(4,5)1(6)7/h8-9H,3-6H2,1-2H3;(H,6,7)
InChIKeyRLPXDNXHZYOLAR-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.98
Rot. Bonds1

About N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid

N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 67240702) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID67240702
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCNC1(C)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2.C2HF3O2/c1-7(8-2)3-5-9-6-4-7;3-2(4,5)1(6)7/h8-9H,3-6H2,1-2H3;(H,6,7)
InChIKeyRLPXDNXHZYOLAR-UHFFFAOYSA-N
XLogP0.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid (CID 67240702) is N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid is CNC1(C)CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is RLPXDNXHZYOLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2HF3O2/c1-7(8-2)3-5-9-6-4-7;3-2(4,5)1(6)7/h8-9H,3-6H2,1-2H3;(H,6,7).
What are the key properties of N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 242.24 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67240702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).