1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one

C23H29NO3 — CID 11417286

IUPAC1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccc(OCC(O)CN2CCCCC2)cc1
InChIInChI=1S/C23H29NO3/c25-21(17-24-15-5-2-6-16-24)18-27-22-12-10-20(11-13-22)23(26)14-9-19-7-3-1-4-8-19/h1,3-4,7-8,10-13,21,25H,2,5-6,9,14-18H2
InChIKeyIHCSOZZNVAFSOX-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.73
Rot. Bonds9

About 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one

1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one (PubChem CID 11417286) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one
PubChem CID11417286
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccc(OCC(O)CN2CCCCC2)cc1
InChIInChI=1S/C23H29NO3/c25-21(17-24-15-5-2-6-16-24)18-27-22-12-10-20(11-13-22)23(26)14-9-19-7-3-1-4-8-19/h1,3-4,7-8,10-13,21,25H,2,5-6,9,14-18H2
InChIKeyIHCSOZZNVAFSOX-UHFFFAOYSA-N
XLogP3.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]-3-phenylpropan-1-one
CID 73349685
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one
CID 10005083
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone;hydrochloride
CID 16806994
1-[4-[(2R)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-2-phenylethanone
CID 92856641
1-[4-(1,2-diphenylbut-1-enyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 67847126
1-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 67847123
1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride
CID 21237668
3-(4-fluorophenyl)-1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]propan-1-one;hydrochloride
CID 57400744
1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 7060493
5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
CID 54372939
1-[4-(azepan-1-ylmethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 172660340
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one (CID 11417286) is 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1ccc(OCC(O)CN2CCCCC2)cc1.
What is the InChIKey of 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one?
The InChIKey is IHCSOZZNVAFSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c25-21(17-24-15-5-2-6-16-24)18-27-22-12-10-20(11-13-22)23(26)14-9-19-7-3-1-4-8-19/h1,3-4,7-8,10-13,21,25H,2,5-6,9,14-18H2.
What are the key properties of 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one?
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one has a molecular weight of 367.49 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 11417286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).