3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid

C14H25F3N2O2 — CID 69157434

IUPAC3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC2(CCNCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H24N2.C2HF3O2/c1-11(2)14-9-5-12(6-10-14)3-7-13-8-4-12;3-2(4,5)1(6)7/h11,13H,3-10H2,1-2H3;(H,6,7)
InChIKeyVPCCGXYKAFKBSR-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.49
Rot. Bonds1

About 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid

3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid (PubChem CID 69157434) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
PubChem CID69157434
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC2(CCNCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H24N2.C2HF3O2/c1-11(2)14-9-5-12(6-10-14)3-7-13-8-4-12;3-2(4,5)1(6)7/h11,13H,3-10H2,1-2H3;(H,6,7)
InChIKeyVPCCGXYKAFKBSR-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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-Isopropyl-[4,4']bipiperidine triflouroacetate
CID 69239836
3,9-Diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 69287850
N,N-dimethyl-1-piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid
CID 69796798
N,N-dimethyl-2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid
CID 69796846
2,8-Diazaspiro[4.5]decane,2-(1-methylethyl)-,(2,2,2-trifluoroacetate)(1:2)
CID 87511435
7-Methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 126573828
3-Methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid
CID 134325062
3-Fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid
CID 134325115
1-Methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid
CID 146455386
1-Piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid
CID 146455409

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid (CID 69157434) is 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid is CC(C)N1CCC2(CCNCC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
The InChIKey is VPCCGXYKAFKBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C2HF3O2/c1-11(2)14-9-5-12(6-10-14)3-7-13-8-4-12;3-2(4,5)1(6)7/h11,13H,3-10H2,1-2H3;(H,6,7).
What are the key properties of 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid has a molecular weight of 310.36 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69157434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).