1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone

C16H23NO2 — CID 101180270

IUPAC1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone
SMILESCCC(OC1CCN(C(C)=O)CC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-3-16(14-7-5-4-6-8-14)19-15-9-11-17(12-10-15)13(2)18/h4-8,15-16H,3,9-12H2,1-2H3
InChIKeyTUPUTCNIOHHHBM-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.17
Rot. Bonds4

About 1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone

1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone (PubChem CID 101180270) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone
PubChem CID101180270
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone
SMILESCCC(OC1CCN(C(C)=O)CC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-3-16(14-7-5-4-6-8-14)19-15-9-11-17(12-10-15)13(2)18/h4-8,15-16H,3,9-12H2,1-2H3
InChIKeyTUPUTCNIOHHHBM-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid
CID 67830997
(2R)-N-(1-acetylpiperidin-4-yl)-2-cyclopentyloxy-2-phenylacetamide
CID 95304150
1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
CID 43224633
ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate
CID 10385289
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
1-[4-(2-phenoxyethoxy)piperidin-1-yl]ethanone
CID 91918409
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate
CID 66835932
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
CID 91815923
2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858856
1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate
CID 71869357

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone (CID 101180270) is 1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone is CCC(OC1CCN(C(C)=O)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone?
The InChIKey is TUPUTCNIOHHHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-16(14-7-5-4-6-8-14)19-15-9-11-17(12-10-15)13(2)18/h4-8,15-16H,3,9-12H2,1-2H3.
What are the key properties of 1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone?
1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 101180270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).