4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid

C17H22F3NO2 — CID 57404446

IUPAC4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cc2c(c(C3CCNCC3)c1)CCCC2
InChIInChI=1S/C15H21N.C2HF3O2/c1-2-6-14-12(4-1)5-3-7-15(14)13-8-10-16-11-9-13;3-2(4,5)1(6)7/h3,5,7,13,16H,1-2,4,6,8-11H2;(H,6,7)
InChIKeyYZLNBPAZPMGEMJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.67
Rot. Bonds1

About 4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid

4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid (PubChem CID 57404446) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid
PubChem CID57404446
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cc2c(c(C3CCNCC3)c1)CCCC2
InChIInChI=1S/C15H21N.C2HF3O2/c1-2-6-14-12(4-1)5-3-7-15(14)13-8-10-16-11-9-13;3-2(4,5)1(6)7/h3,5,7,13,16H,1-2,4,6,8-11H2;(H,6,7)
InChIKeyYZLNBPAZPMGEMJ-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(cyclohexylmethyl)piperidin-4-yl]-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]methanamine;2,2,2-trifluoroacetic acid
CID 44536005
1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536496
1-[1-(cyclohexylmethyl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;2,2,2-trifluoroacetic acid
CID 44536520
Piperidine, 4-(1-naphthalenyl)-, 2,2,2-trifluoroacetate (1:1)
CID 57404445
1-(2-methylphenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
CID 44543493
1-(3-methylphenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
CID 44543494
N-[(2,5-difluorophenyl)methyl]-1-naphthalen-1-ylmethanamine;2,2,2-trifluoroacetic acid
CID 44543503
Cinacalcet HCl acetic acid solvate
CID 139194752
1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
CID 44543505
4-Phenylpiperidine;2,2,2-trifluoroacetic acid
CID 11311890
2-[[3-Phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid
CID 21019856
1-(4-Phenylcyclohexyl)piperazine;2,2,2-trifluoroacetic acid
CID 21182439

Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid (CID 57404446) is 4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cc2c(c(C3CCNCC3)c1)CCCC2.
What is the InChIKey of 4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is YZLNBPAZPMGEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.C2HF3O2/c1-2-6-14-12(4-1)5-3-7-15(14)13-8-10-16-11-9-13;3-2(4,5)1(6)7/h3,5,7,13,16H,1-2,4,6,8-11H2;(H,6,7).
What are the key properties of 4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid?
4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 329.36 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 57404446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).