1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone

C18H27NO3 — CID 7394006

IUPAC1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCCOCCN2CCC[C@H](C)C2)c1
InChIInChI=1S/C18H27NO3/c1-15-5-4-8-19(14-15)9-10-21-11-12-22-18-7-3-6-17(13-18)16(2)20/h3,6-7,13,15H,4-5,8-12,14H2,1-2H3/t15-/m0/s1
InChIKeyROZNLFRHJAFANH-HNNXBMFYSA-N
MW305.42 g/mol
LogP3.02
Rot. Bonds8

About 1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone

1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone (PubChem CID 7394006) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
PubChem CID7394006
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCCOCCN2CCC[C@H](C)C2)c1
InChIInChI=1S/C18H27NO3/c1-15-5-4-8-19(14-15)9-10-21-11-12-22-18-7-3-6-17(13-18)16(2)20/h3,6-7,13,15H,4-5,8-12,14H2,1-2H3/t15-/m0/s1
InChIKeyROZNLFRHJAFANH-HNNXBMFYSA-N
XLogP3.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone 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-methylpiperidin-1-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2994155
1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7379667
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
1-[2-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394124
3-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63624650
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 79168162
4-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]benzaldehyde
CID 7379881
3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid
CID 61434873
3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid
CID 61403557
1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid
CID 2934230
3-[2-(4-hydroxy-3-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 114679124
(3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 887526

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone (CID 7394006) is 1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone is CC(=O)c1cccc(OCCOCCN2CCC[C@H](C)C2)c1.
What is the InChIKey of 1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone?
The InChIKey is ROZNLFRHJAFANH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-15-5-4-8-19(14-15)9-10-21-11-12-22-18-7-3-6-17(13-18)16(2)20/h3,6-7,13,15H,4-5,8-12,14H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone?
1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone has a molecular weight of 305.42 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone is sourced from PubChem (CID 7394006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).