4-(3-phenylmethoxypropoxy)piperidine

C15H23NO2 — CID 171491541

IUPAC4-(3-phenylmethoxypropoxy)piperidine
SMILESc1ccc(COCCCOC2CCNCC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-5-14(6-3-1)13-17-11-4-12-18-15-7-9-16-10-8-15/h1-3,5-6,15-16H,4,7-13H2
InChIKeyVLGFWYJSZDSKNI-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.36
Rot. Bonds7

About 4-(3-phenylmethoxypropoxy)piperidine

4-(3-phenylmethoxypropoxy)piperidine (PubChem CID 171491541) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(3-phenylmethoxypropoxy)piperidine.

Molecular Properties

Compound Name4-(3-phenylmethoxypropoxy)piperidine
PubChem CID171491541
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-(3-phenylmethoxypropoxy)piperidine
SMILESc1ccc(COCCCOC2CCNCC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-5-14(6-3-1)13-17-11-4-12-18-15-7-9-16-10-8-15/h1-3,5-6,15-16H,4,7-13H2
InChIKeyVLGFWYJSZDSKNI-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(16-phenylmethoxyhexadecoxy)piperidine
CID 177224611
3-(3-phenylmethoxypropoxy)oxetane
CID 90348128
4-phenylmethoxyazepane
CID 63716383
N-benzyl-N-methyl-2-piperidin-4-yloxyethanamine
CID 63903578
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate
CID 59907113
1-phenyl-N-(2-piperidin-4-yloxyethyl)methanesulfonamide
CID 63871482
(2S,4R)-1-methyl-4-(3-phenylmethoxypropoxy)pyrrolidine-2-carboxylic acid
CID 59906891
4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol
CID 70091294
13,27-bis(4-phenylmethoxybutyl)-1,3,6,9,11,15,17,20,23,25-decazacyclooctacosane-2,10,16,24-tetrathione
CID 11115545
N-(2-phenylmethoxyethyl)piperidine-4-carboxamide
CID 89441554
N-phenylmethoxy-1-piperidin-4-ylmethanamine
CID 82709378

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylmethoxypropoxy)piperidine?
The IUPAC name of 4-(3-phenylmethoxypropoxy)piperidine (CID 171491541) is 4-(3-phenylmethoxypropoxy)piperidine.
What is the SMILES notation for 4-(3-phenylmethoxypropoxy)piperidine?
The canonical SMILES for 4-(3-phenylmethoxypropoxy)piperidine is c1ccc(COCCCOC2CCNCC2)cc1.
What is the InChIKey of 4-(3-phenylmethoxypropoxy)piperidine?
The InChIKey is VLGFWYJSZDSKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-5-14(6-3-1)13-17-11-4-12-18-15-7-9-16-10-8-15/h1-3,5-6,15-16H,4,7-13H2.
What are the key properties of 4-(3-phenylmethoxypropoxy)piperidine?
4-(3-phenylmethoxypropoxy)piperidine has a molecular weight of 249.35 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylmethoxypropoxy)piperidine is sourced from PubChem (CID 171491541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).