1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine

C17H26ClNO — CID 172653317

IUPAC1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine
SMILES[2H]C([2H])(OCCCc1ccc(Cl)cc1)C([2H])([2H])C([2H])([2H])N1CCCCC1
InChIInChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2/i5D2,13D2,15D2
InChIKeyNNACHAUCXXVJSP-LYJWZICZSA-N
MW301.89 g/mol
LogP4.17
Rot. Bonds8

About 1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine

1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine (PubChem CID 172653317) has the molecular formula C17H26ClNO and a molecular weight of 301.89 g/mol. Its IUPAC name is 1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine.

Molecular Properties

Compound Name1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine
PubChem CID172653317
Molecular FormulaC17H26ClNO
Molecular Weight301.89 g/mol
Exact Mass301.21
IUPAC Name1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine
SMILES[2H]C([2H])(OCCCc1ccc(Cl)cc1)C([2H])([2H])C([2H])([2H])N1CCCCC1
InChIInChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2/i5D2,13D2,15D2
InChIKeyNNACHAUCXXVJSP-LYJWZICZSA-N
XLogP4.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.89
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine 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

1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
CID 175675428
3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one
CID 163323866
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
1-[3-[3-(4-chlorophenyl)propoxy]propyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidine
CID 172676756
1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine
CID 54429308
1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine
CID 11947991
1-[2-(4-chlorophenyl)ethoxy]piperidine
CID 23081466
(1S,5R)-3-[(4-chlorophenyl)methyl]-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 11631928
1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine
CID 146327178
1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine
CID 19102661
(3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine
CID 66702546
1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine
CID 11978616

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine?
The IUPAC name of 1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine (CID 172653317) is 1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine.
What is the SMILES notation for 1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine?
The canonical SMILES for 1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine is [2H]C([2H])(OCCCc1ccc(Cl)cc1)C([2H])([2H])C([2H])([2H])N1CCCCC1.
What is the InChIKey of 1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine?
The InChIKey is NNACHAUCXXVJSP-LYJWZICZSA-N. The full InChI is InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2/i5D2,13D2,15D2.
What are the key properties of 1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine?
1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine has a molecular weight of 301.89 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine is sourced from PubChem (CID 172653317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).