1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one

C30H35NO4 — CID 10005083

IUPAC1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1cc(OCc2ccccc2)ccc1OCC(O)CN1CCCCC1
InChIInChI=1S/C30H35NO4/c32-26(21-31-18-8-3-9-19-31)23-35-30-17-15-27(34-22-25-12-6-2-7-13-25)20-28(30)29(33)16-14-24-10-4-1-5-11-24/h1-2,4-7,10-13,15,17,20,26,32H,3,8-9,14,16,18-19,21-23H2
InChIKeyYRJZDYAKHCFJLP-UHFFFAOYSA-N
MW473.61 g/mol
LogP5.31
Rot. Bonds12

About 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one

1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one (PubChem CID 10005083) has the molecular formula C30H35NO4 and a molecular weight of 473.61 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one
PubChem CID10005083
Molecular FormulaC30H35NO4
Molecular Weight473.61 g/mol
Exact Mass473.26
IUPAC Name1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1cc(OCc2ccccc2)ccc1OCC(O)CN1CCCCC1
InChIInChI=1S/C30H35NO4/c32-26(21-31-18-8-3-9-19-31)23-35-30-17-15-27(34-22-25-12-6-2-7-13-25)20-28(30)29(33)16-14-24-10-4-1-5-11-24/h1-2,4-7,10-13,15,17,20,26,32H,3,8-9,14,16,18-19,21-23H2
InChIKeyYRJZDYAKHCFJLP-UHFFFAOYSA-N
XLogP5.31
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.61
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one
CID 11417286
3-(4-fluorophenyl)-1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]propan-1-one;hydrochloride
CID 57400744
1-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-5-fluorophenyl]-3-phenylpropan-1-one;hydrochloride
CID 57402542
1-[5-fluoro-2-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one
CID 57393815
1-[2-[(2R)-3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 73351214
1-[2-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
CID 56647655
1-[5-fluoro-2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one
CID 57390285
1-[5-fluoro-2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one
CID 57395583
1-[5-fluoro-2-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
CID 57393814
1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 57400740
1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
CID 57391044
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
CID 2968485

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one (CID 10005083) is 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1cc(OCc2ccccc2)ccc1OCC(O)CN1CCCCC1.
What is the InChIKey of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one?
The InChIKey is YRJZDYAKHCFJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO4/c32-26(21-31-18-8-3-9-19-31)23-35-30-17-15-27(34-22-25-12-6-2-7-13-25)20-28(30)29(33)16-14-24-10-4-1-5-11-24/h1-2,4-7,10-13,15,17,20,26,32H,3,8-9,14,16,18-19,21-23H2.
What are the key properties of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one?
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one has a molecular weight of 473.61 g/mol, XLogP of 5.31, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 10005083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).