4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one

C18H27NO3 — CID 117100282

IUPAC4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one
SMILESCC(=O)CCOc1ccc(C2CCCNC2)cc1OC(C)C
InChIInChI=1S/C18H27NO3/c1-13(2)22-18-11-15(16-5-4-9-19-12-16)6-7-17(18)21-10-8-14(3)20/h6-7,11,13,16,19H,4-5,8-10,12H2,1-3H3
InChIKeyXTLWBVQZICARNQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.30
Rot. Bonds7

About 4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one

4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one (PubChem CID 117100282) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one.

Molecular Properties

Compound Name4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one
PubChem CID117100282
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one
SMILESCC(=O)CCOc1ccc(C2CCCNC2)cc1OC(C)C
InChIInChI=1S/C18H27NO3/c1-13(2)22-18-11-15(16-5-4-9-19-12-16)6-7-17(18)21-10-8-14(3)20/h6-7,11,13,16,19H,4-5,8-10,12H2,1-3H3
InChIKeyXTLWBVQZICARNQ-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine
CID 117100267
3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol
CID 117100276
2-(2-ethoxy-4-piperidin-3-ylphenoxy)propanamide
CID 117100260
2-(2-methoxy-4-piperidin-3-ylphenoxy)propanamide
CID 117100231
3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine
CID 117100261
4-(3-methyl-4-propan-2-yloxyphenyl)azepane
CID 82296050
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
(2S,3S)-2,3-dihydroxybutanedioic acid;methyl 2-methoxy-5-piperidin-3-ylbenzoate
CID 18448506
(2S,3S)-2,3-dihydroxybutanedioic acid;ethyl 2-(2-methyl-5-piperidin-3-ylphenoxy)acetate
CID 68882793
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173
1-[4-[(3S)-piperidin-3-yl]phenyl]ethanol
CID 154574830
(3S)-3-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]pyrrolidine
CID 175176896

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one?
The IUPAC name of 4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one (CID 117100282) is 4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one.
What is the SMILES notation for 4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one?
The canonical SMILES for 4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one is CC(=O)CCOc1ccc(C2CCCNC2)cc1OC(C)C.
What is the InChIKey of 4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one?
The InChIKey is XTLWBVQZICARNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(2)22-18-11-15(16-5-4-9-19-12-16)6-7-17(18)21-10-8-14(3)20/h6-7,11,13,16,19H,4-5,8-10,12H2,1-3H3.
What are the key properties of 4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one?
4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one has a molecular weight of 305.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one is sourced from PubChem (CID 117100282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).