3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one

C17H24ClNO2 — CID 163323866

IUPAC3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCOCCCc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C17H24ClNO2/c18-16-8-6-15(7-9-16)5-4-13-21-14-10-17(20)19-11-2-1-3-12-19/h6-9H,1-5,10-14H2
InChIKeyRLKOHPZQRKNERT-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.69
Rot. Bonds7

About 3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one

3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one (PubChem CID 163323866) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one
PubChem CID163323866
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCOCCCc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C17H24ClNO2/c18-16-8-6-15(7-9-16)5-4-13-21-14-10-17(20)19-11-2-1-3-12-19/h6-9H,1-5,10-14H2
InChIKeyRLKOHPZQRKNERT-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013807
1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
CID 175675428
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
4-(2-phenylethoxy)-1-pyrrolidin-1-ylbutan-1-one
CID 87010718
1-[4-[3-(4-chlorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-cyclohexylpropan-1-one
CID 108547690
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113152545
1-[(3S)-3-aminopiperidin-1-yl]-4-(4-chlorophenyl)butan-1-one;hydrochloride
CID 154895459
4-chloro-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 108569833
3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate
CID 91148922
4-(4-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylbutan-1-one
CID 60629339

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one (CID 163323866) is 3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one is O=C(CCOCCCc1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of 3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one?
The InChIKey is RLKOHPZQRKNERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c18-16-8-6-15(7-9-16)5-4-13-21-14-10-17(20)19-11-2-1-3-12-19/h6-9H,1-5,10-14H2.
What are the key properties of 3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one?
3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one has a molecular weight of 309.84 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 163323866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).