2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)

C25H33F6N5O5 — CID 154887908

IUPAC2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCOc1ccc2c(c1)CC(N1CCC(n3cc(C(C)(C)N)nn3)CC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C21H31N5O.2C2HF3O2/c1-21(2,22)20-14-26(24-23-20)17-8-10-25(11-9-17)18-6-4-15-5-7-19(27-3)13-16(15)12-18;2*3-2(4,5)1(6)7/h5,7,13-14,17-18H,4,6,8-12,22H2,1-3H3;2*(H,6,7)
InChIKeyNZWWXTOVXZTDNV-UHFFFAOYSA-N
MW597.56 g/mol
LogP3.94
Rot. Bonds4

About 2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)

2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 154887908) has the molecular formula C25H33F6N5O5 and a molecular weight of 597.56 g/mol. Its IUPAC name is 2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID154887908
Molecular FormulaC25H33F6N5O5
Molecular Weight597.56 g/mol
Exact Mass597.24
IUPAC Name2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCOc1ccc2c(c1)CC(N1CCC(n3cc(C(C)(C)N)nn3)CC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C21H31N5O.2C2HF3O2/c1-21(2,22)20-14-26(24-23-20)17-8-10-25(11-9-17)18-6-4-15-5-7-19(27-3)13-16(15)12-18;2*3-2(4,5)1(6)7/h5,7,13-14,17-18H,4,6,8-12,22H2,1-3H3;2*(H,6,7)
InChIKeyNZWWXTOVXZTDNV-UHFFFAOYSA-N
XLogP3.94
TPSA143.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.56
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[1-(thian-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 154925181
3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid
CID 107320785
2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine
CID 46990920
3-[1-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 25382504
[1-[1-[(6-methoxynaphthalen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154888404
[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone
CID 46991450
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine
CID 115510854
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid
CID 122127288
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-methylpropanoic acid
CID 115511164
1-(4-cyclopropyl-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
CID 87378536
[1-(4-aminocyclohexyl)triazol-4-yl]-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 163310711

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) (CID 154887908) is 2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) is COc1ccc2c(c1)CC(N1CCC(n3cc(C(C)(C)N)nn3)CC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is NZWWXTOVXZTDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O.2C2HF3O2/c1-21(2,22)20-14-26(24-23-20)17-8-10-25(11-9-17)18-6-4-15-5-7-19(27-3)13-16(15)12-18;2*3-2(4,5)1(6)7/h5,7,13-14,17-18H,4,6,8-12,22H2,1-3H3;2*(H,6,7).
What are the key properties of 2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)?
2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 597.56 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 154887908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).