1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

C10H17F3N2O2 — CID 172816610

IUPAC1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESCN1CCC12CCNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2.C2HF3O2/c1-10-7-4-8(10)2-5-9-6-3-8;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7)
InChIKeySWVJUKCUGVQDSE-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.08
Rot. Bonds

About 1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (PubChem CID 172816610) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
PubChem CID172816610
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESCN1CCC12CCNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2.C2HF3O2/c1-10-7-4-8(10)2-5-9-6-3-8;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7)
InChIKeySWVJUKCUGVQDSE-UHFFFAOYSA-N
XLogP1.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Azetidin-1-ylmethyl)piperidine,bis(trifluoroacetic acid)
CID 53484595
N,N-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 18917555
1-(Azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid
CID 22061286
(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
4-(2,2-Dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid
CID 68600928
[1-(Azetidin-3-yl)piperidin-4-yl]-tert-butylcarbamic acid;2,2,2-trifluoroacetic acid
CID 69600513
2-Piperidin-4-ylpropan-2-amine;2,2,2-trifluoroacetic acid
CID 69796797
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
4-Methyl-4-pyrrolidin-1-ylpiperidine;2,2,2-trifluoroacetic acid
CID 87511364
7-(2,2-Difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 126573815

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (CID 172816610) is 1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is CN1CCC12CCNCC2.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The InChIKey is SWVJUKCUGVQDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C2HF3O2/c1-10-7-4-8(10)2-5-9-6-3-8;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7).
What are the key properties of 1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid has a molecular weight of 254.25 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172816610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).