1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one

C24H31NO4 — CID 86973070

IUPAC1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)CN2CCCC(COc3ccccc3)C2)cc1
InChIInChI=1S/C24H31NO4/c1-2-24(27)20-10-12-23(13-11-20)29-18-21(26)16-25-14-6-7-19(15-25)17-28-22-8-4-3-5-9-22/h3-5,8-13,19,21,26H,2,6-7,14-18H2,1H3
InChIKeyQLWFTZICIKMVIO-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.81
Rot. Bonds10

About 1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one

1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one (PubChem CID 86973070) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one
PubChem CID86973070
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)CN2CCCC(COc3ccccc3)C2)cc1
InChIInChI=1S/C24H31NO4/c1-2-24(27)20-10-12-23(13-11-20)29-18-21(26)16-25-14-6-7-19(15-25)17-28-22-8-4-3-5-9-22/h3-5,8-13,19,21,26H,2,6-7,14-18H2,1H3
InChIKeyQLWFTZICIKMVIO-UHFFFAOYSA-N
XLogP3.81
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one with MolForge

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Related Compounds

ethyl (3S)-1-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-3-carboxylate
CID 7187794
1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 7060493
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 111148127
1-[3-[(4-aminophenoxy)methyl]piperidin-1-yl]-3-(4-chlorophenoxy)propan-2-ol
CID 142125033
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422
2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 111565370
1-[4-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7125581
N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide
CID 24534494
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024
N-(cyclopropylmethyl)-1-(2-hydroxy-3-phenoxypropyl)piperidine-3-carboxamide
CID 110892635
1-[4-[3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 44786575

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one (CID 86973070) is 1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCC(O)CN2CCCC(COc3ccccc3)C2)cc1.
What is the InChIKey of 1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one?
The InChIKey is QLWFTZICIKMVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-2-24(27)20-10-12-23(13-11-20)29-18-21(26)16-25-14-6-7-19(15-25)17-28-22-8-4-3-5-9-22/h3-5,8-13,19,21,26H,2,6-7,14-18H2,1H3.
What are the key properties of 1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one?
1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one has a molecular weight of 397.52 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one is sourced from PubChem (CID 86973070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).