1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid

C10H19F3N2O2 — CID 69289347

IUPAC1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2.C2HF3O2/c1-7(2)10-5-3-8(9)4-6-10;3-2(4,5)1(6)7/h7-8H,3-6,9H2,1-2H3;(H,6,7)
InChIKeyDXEWBEDBSAUMGI-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.45
Rot. Bonds1

About 1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid

1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 69289347) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID69289347
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2.C2HF3O2/c1-7(2)10-5-3-8(9)4-6-10;3-2(4,5)1(6)7/h7-8H,3-6,9H2,1-2H3;(H,6,7)
InChIKeyDXEWBEDBSAUMGI-UHFFFAOYSA-N
XLogP1.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dibutylpropane-1,3-diamine;2,2,2-trifluoroacetic acid
CID 49796793
N,N-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 18917555
(1-Propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
CID 23018851
N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 67240702
1-Propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67339631
1-Ethylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67340395
1-Propylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67341134
2,2,2-trifluoroacetic acid;(2S,6R)-1,2,6-trimethylpiperazine
CID 68439877
N-Methyl-N-piperidin-4-yl-acetamide trifluoroacetate
CID 68475367
4-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
CID 68600321
4-(2,2-Dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid
CID 68600928
4-(3,3-Difluoropyrrolidin-1-yl)piperidine 2,2,2-trifluoroacetate
CID 68600939

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid (CID 69289347) is 1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid is CC(C)N1CCC(N)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is DXEWBEDBSAUMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C2HF3O2/c1-7(2)10-5-3-8(9)4-6-10;3-2(4,5)1(6)7/h7-8H,3-6,9H2,1-2H3;(H,6,7).
What are the key properties of 1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 256.27 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69289347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).