1-[3-(4-phenylphenoxy)propyl]piperidine

C20H25NO — CID 56683751

IUPAC1-[3-(4-phenylphenoxy)propyl]piperidine
SMILESc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C20H25NO/c1-3-8-18(9-4-1)19-10-12-20(13-11-19)22-17-7-16-21-14-5-2-6-15-21/h1,3-4,8-13H,2,5-7,14-17H2
InChIKeyYVKKYCJACTULJR-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.61
Rot. Bonds6

About 1-[3-(4-phenylphenoxy)propyl]piperidine

1-[3-(4-phenylphenoxy)propyl]piperidine (PubChem CID 56683751) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[3-(4-phenylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-phenylphenoxy)propyl]piperidine
PubChem CID56683751
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-[3-(4-phenylphenoxy)propyl]piperidine
SMILESc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C20H25NO/c1-3-8-18(9-4-1)19-10-12-20(13-11-19)22-17-7-16-21-14-5-2-6-15-21/h1,3-4,8-13H,2,5-7,14-17H2
InChIKeyYVKKYCJACTULJR-UHFFFAOYSA-N
XLogP4.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.61
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

1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
4-phenylphenol;1-[3-(4-phenylphenoxy)propyl]pyrrolidine;3-pyrrolidin-1-ylpropan-1-ol
CID 161417756
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine
CID 68905693
1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine
CID 91053394
(E)-3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]prop-2-enoic acid
CID 23150322
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-phenylphenoxy)propyl]piperidine?
The IUPAC name of 1-[3-(4-phenylphenoxy)propyl]piperidine (CID 56683751) is 1-[3-(4-phenylphenoxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(4-phenylphenoxy)propyl]piperidine?
The canonical SMILES for 1-[3-(4-phenylphenoxy)propyl]piperidine is c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[3-(4-phenylphenoxy)propyl]piperidine?
The InChIKey is YVKKYCJACTULJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-8-18(9-4-1)19-10-12-20(13-11-19)22-17-7-16-21-14-5-2-6-15-21/h1,3-4,8-13H,2,5-7,14-17H2.
What are the key properties of 1-[3-(4-phenylphenoxy)propyl]piperidine?
1-[3-(4-phenylphenoxy)propyl]piperidine has a molecular weight of 295.43 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenylphenoxy)propyl]piperidine is sourced from PubChem (CID 56683751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).