(5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C13H18F3N3 — CID 167047972

IUPAC(5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESN[C@@H]1C2=C(CC13CCNCC3)NCC(C(F)(F)F)=C2
InChIInChI=1S/C13H18F3N3/c14-13(15,16)8-5-9-10(19-7-8)6-12(11(9)17)1-3-18-4-2-12/h5,11,18-19H,1-4,6-7,17H2/t11-/m1/s1
InChIKeyNSLKTZRDSIQDLS-LLVKDONJSA-N
MW273.30 g/mol
LogP1.43
Rot. Bonds

About (5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

(5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 167047972) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is (5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name(5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID167047972
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name(5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESN[C@@H]1C2=C(CC13CCNCC3)NCC(C(F)(F)F)=C2
InChIInChI=1S/C13H18F3N3/c14-13(15,16)8-5-9-10(19-7-8)6-12(11(9)17)1-3-18-4-2-12/h5,11,18-19H,1-4,6-7,17H2/t11-/m1/s1
InChIKeyNSLKTZRDSIQDLS-LLVKDONJSA-N
XLogP1.43
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine with MolForge

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Related Compounds

1'-(Cyclohexylmethyl)-5-fluorospiro[1,2,6,7-tetrahydroindole-3,4'-piperidine]
CID 68234249
1'-(Azepan-4-yl)-5-fluorospiro[1,2,6,7-tetrahydroindole-3,4'-piperidine]
CID 68234584
3-(1-Methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
CID 90133907
(1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine
CID 138663224
4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene
CID 143498263
6-(1,1-Difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole
CID 146409781
N-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine
CID 174245348
(2E)-3-(3,3-difluoroprop-1-en-2-yl)-4-N-[1-(1,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-N,2-N-dimethylhexa-2,4,5-triene-2,4-diamine
CID 176540313
5-Ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole
CID 150109115
3-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine
CID 162587231
N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 162597458
Spiro[1,2-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 69010944

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of (5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 167047972) is (5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for (5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for (5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is N[C@@H]1C2=C(CC13CCNCC3)NCC(C(F)(F)F)=C2.
What is the InChIKey of (5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is NSLKTZRDSIQDLS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18F3N3/c14-13(15,16)8-5-9-10(19-7-8)6-12(11(9)17)1-3-18-4-2-12/h5,11,18-19H,1-4,6-7,17H2/t11-/m1/s1.
What are the key properties of (5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
(5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 273.30 g/mol, XLogP of 1.43, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 167047972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).