1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone

C17H25NO2 — CID 7067763

IUPAC1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCCN2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C17H25NO2/c1-14-5-3-10-18(13-14)11-4-12-20-17-8-6-16(7-9-17)15(2)19/h6-9,14H,3-5,10-13H2,1-2H3/t14-/m1/s1
InChIKeyUDOGRGCITVUWOQ-CQSZACIVSA-N
MW275.39 g/mol
LogP3.39
Rot. Bonds6

About 1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone

1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone (PubChem CID 7067763) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
PubChem CID7067763
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCCN2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C17H25NO2/c1-14-5-3-10-18(13-14)11-4-12-20-17-8-6-16(7-9-17)15(2)19/h6-9,14H,3-5,10-13H2,1-2H3/t14-/m1/s1
InChIKeyUDOGRGCITVUWOQ-CQSZACIVSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2994155
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
1-[4-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]butoxy]phenyl]ethanone
CID 7380050
oxalic acid;1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone
CID 2950389
4-[3-(3-methylpiperidin-1-yl)propoxy]benzaldehyde;hydrochloride
CID 2994240
1-[4-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7125581
1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394006
1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
CID 7380535
1-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]ethanone
CID 7380342
1-methyl-N-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
CID 100692055
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone (CID 7067763) is 1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone is CC(=O)c1ccc(OCCCN2CCC[C@@H](C)C2)cc1.
What is the InChIKey of 1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone?
The InChIKey is UDOGRGCITVUWOQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14-5-3-10-18(13-14)11-4-12-20-17-8-6-16(7-9-17)15(2)19/h6-9,14H,3-5,10-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone?
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone is sourced from PubChem (CID 7067763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).