[2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone

C27H29NO2 — CID 10135575

IUPAC[2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CCCCC1CCOCc1ccccc1
InChIInChI=1S/C27H29NO2/c29-27(26-17-8-7-16-25(26)23-13-5-2-6-14-23)28-19-10-9-15-24(28)18-20-30-21-22-11-3-1-4-12-22/h1-8,11-14,16-17,24H,9-10,15,18-21H2
InChIKeyAZXPPXBVDYFKGQ-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.96
Rot. Bonds7

About [2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone

[2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 10135575) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is [2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
PubChem CID10135575
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC Name[2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CCCCC1CCOCc1ccccc1
InChIInChI=1S/C27H29NO2/c29-27(26-17-8-7-16-25(26)23-13-5-2-6-14-23)28-19-10-9-15-24(28)18-20-30-21-22-11-3-1-4-12-22/h1-8,11-14,16-17,24H,9-10,15,18-21H2
InChIKeyAZXPPXBVDYFKGQ-UHFFFAOYSA-N
XLogP5.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.96
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

[2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 10136736
[2-(2-phenoxyethyl)azepan-1-yl]-(2-phenylphenyl)methanone
CID 10179058
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479
[(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 14068808
benzyl (2R)-2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethyl]piperidine-1-carboxylate
CID 129385196
N-(2-benzylpiperidin-1-yl)-2-phenylbenzamide
CID 121318734
[(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 97127200
1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea
CID 10224695
2-phenylmethoxy-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 94819194
[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 70786804
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110887019
[2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 90574051

Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone (CID 10135575) is [2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone is O=C(c1ccccc1-c1ccccc1)N1CCCCC1CCOCc1ccccc1.
What is the InChIKey of [2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is AZXPPXBVDYFKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO2/c29-27(26-17-8-7-16-25(26)23-13-5-2-6-14-23)28-19-10-9-15-24(28)18-20-30-21-22-11-3-1-4-12-22/h1-8,11-14,16-17,24H,9-10,15,18-21H2.
What are the key properties of [2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone?
[2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 399.53 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 10135575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).