1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine

C22H29NO — CID 54429308

IUPAC1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine
SMILESc1ccc(CCCOCc2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C22H29NO/c1-3-8-20(9-4-1)10-7-17-24-19-22-13-11-21(12-14-22)18-23-15-5-2-6-16-23/h1,3-4,8-9,11-14H,2,5-7,10,15-19H2
InChIKeyWGITVWXEAIPKKE-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.82
Rot. Bonds8

About 1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine

1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine (PubChem CID 54429308) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine
PubChem CID54429308
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine
SMILESc1ccc(CCCOCc2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C22H29NO/c1-3-8-20(9-4-1)10-7-17-24-19-22-13-11-21(12-14-22)18-23-15-5-2-6-16-23/h1,3-4,8-9,11-14H,2,5-7,10,15-19H2
InChIKeyWGITVWXEAIPKKE-UHFFFAOYSA-N
XLogP4.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.82
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-benzylazepane
CID 10954328
1-[[4-(2-phenylethoxy)phenyl]methyl]piperidine
CID 15952241
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CID 83962809
1-iodo-4-(3-phenylmethoxypropyl)benzene
CID 10937065
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
1-benzylpyrrolidine;propane
CID 143692089
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
CID 175675428
4-(4-phenylbutoxymethyl)aniline
CID 114332885
4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine
CID 117337056
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine?
The IUPAC name of 1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine (CID 54429308) is 1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine?
The canonical SMILES for 1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine is c1ccc(CCCOCc2ccc(CN3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine?
The InChIKey is WGITVWXEAIPKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-3-8-20(9-4-1)10-7-17-24-19-22-13-11-21(12-14-22)18-23-15-5-2-6-16-23/h1,3-4,8-9,11-14H,2,5-7,10,15-19H2.
What are the key properties of 1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine?
1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine has a molecular weight of 323.48 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 54429308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).