1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one

C20H23NO2 — CID 82051060

IUPAC1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c22-20(13-16-21-14-5-2-6-15-21)17-9-11-19(12-10-17)23-18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16H2
InChIKeyYSHVVKLPHCHGHU-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.54
Rot. Bonds6

About 1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one

1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 82051060) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one
PubChem CID82051060
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c22-20(13-16-21-14-5-2-6-15-21)17-9-11-19(12-10-17)23-18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16H2
InChIKeyYSHVVKLPHCHGHU-UHFFFAOYSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
CID 15870243
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride
CID 70071282
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
3-(4-benzoylpiperazin-1-yl)-1-[4-(4-methoxyphenoxy)phenyl]propan-1-one;dihydrochloride
CID 18362769
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride
CID 644984
3-(4-benzylpiperazin-1-yl)-1-[4-(4-nitrophenoxy)phenyl]propan-1-one
CID 10118742
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
CID 54372939
3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide
CID 56863001

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one (CID 82051060) is 1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one is O=C(CCN1CCCCC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is YSHVVKLPHCHGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-20(13-16-21-14-5-2-6-15-21)17-9-11-19(12-10-17)23-18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16H2.
What are the key properties of 1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one?
1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 309.41 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 82051060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).