1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one

C17H25NO2 — CID 142037946

IUPAC1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one
SMILESCC(=O)Cc1ccccc1OCCCN1CCCCC1
InChIInChI=1S/C17H25NO2/c1-15(19)14-16-8-3-4-9-17(16)20-13-7-12-18-10-5-2-6-11-18/h3-4,8-9H,2,5-7,10-14H2,1H3
InChIKeyZCWRKRWJVARHSU-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.07
Rot. Bonds7

About 1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one

1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one (PubChem CID 142037946) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one
PubChem CID142037946
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one
SMILESCC(=O)Cc1ccccc1OCCCN1CCCCC1
InChIInChI=1S/C17H25NO2/c1-15(19)14-16-8-3-4-9-17(16)20-13-7-12-18-10-5-2-6-11-18/h3-4,8-9H,2,5-7,10-14H2,1H3
InChIKeyZCWRKRWJVARHSU-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
CID 11108172
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
oxalic acid;1-[3-(2-prop-2-enylphenoxy)propyl]azepane
CID 2944028
N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide
CID 20719073
1-(2-butoxyphenyl)propan-2-one
CID 82161473
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
(NZ)-N-[1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethylidene]hydroxylamine
CID 109374436
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one?
The IUPAC name of 1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one (CID 142037946) is 1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one?
The canonical SMILES for 1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one is CC(=O)Cc1ccccc1OCCCN1CCCCC1.
What is the InChIKey of 1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one?
The InChIKey is ZCWRKRWJVARHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-15(19)14-16-8-3-4-9-17(16)20-13-7-12-18-10-5-2-6-11-18/h3-4,8-9H,2,5-7,10-14H2,1H3.
What are the key properties of 1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one?
1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one is sourced from PubChem (CID 142037946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).