4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid

C18H26F3NO3 — CID 154885381

IUPAC4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid
SMILESCC[C@H](CN1CCC(OC)CC1)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25NO.C2HF3O2/c1-3-14(15-7-5-4-6-8-15)13-17-11-9-16(18-2)10-12-17;3-2(4,5)1(6)7/h4-8,14,16H,3,9-13H2,1-2H3;(H,6,7)/t14-;/m1./s1
InChIKeyFRNYHSHBFVODSV-PFEQFJNWSA-N
MW361.40 g/mol
LogP3.92
Rot. Bonds5

About 4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid

4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid (PubChem CID 154885381) has the molecular formula C18H26F3NO3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid
PubChem CID154885381
Molecular FormulaC18H26F3NO3
Molecular Weight361.40 g/mol
Exact Mass361.19
IUPAC Name4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid
SMILESCC[C@H](CN1CCC(OC)CC1)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25NO.C2HF3O2/c1-3-14(15-7-5-4-6-8-15)13-17-11-9-16(18-2)10-12-17;3-2(4,5)1(6)7/h4-8,14,16H,3,9-13H2,1-2H3;(H,6,7)/t14-;/m1./s1
InChIKeyFRNYHSHBFVODSV-PFEQFJNWSA-N
XLogP3.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid (CID 154885381) is 4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid is CC[C@H](CN1CCC(OC)CC1)c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is FRNYHSHBFVODSV-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H25NO.C2HF3O2/c1-3-14(15-7-5-4-6-8-15)13-17-11-9-16(18-2)10-12-17;3-2(4,5)1(6)7/h4-8,14,16H,3,9-13H2,1-2H3;(H,6,7)/t14-;/m1./s1.
What are the key properties of 4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid?
4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 361.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(2S)-2-phenylbutyl]piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154885381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).