1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine

C32H33NO — CID 67570623

IUPAC1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine
SMILESc1ccc(C(CCOc2ccc(N3CCCCC3)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H33NO/c1-5-13-27(14-6-1)32(28-15-7-2-8-16-28,29-17-9-3-10-18-29)23-26-34-31-21-19-30(20-22-31)33-24-11-4-12-25-33/h1-3,5-10,13-22H,4,11-12,23-26H2
InChIKeyVTFLYMOGEVIVHG-UHFFFAOYSA-N
MW447.62 g/mol
LogP7.48
Rot. Bonds8

About 1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine

1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine (PubChem CID 67570623) has the molecular formula C32H33NO and a molecular weight of 447.62 g/mol. Its IUPAC name is 1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine.

Molecular Properties

Compound Name1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine
PubChem CID67570623
Molecular FormulaC32H33NO
Molecular Weight447.62 g/mol
Exact Mass447.26
IUPAC Name1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine
SMILESc1ccc(C(CCOc2ccc(N3CCCCC3)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H33NO/c1-5-13-27(14-6-1)32(28-15-7-2-8-16-28,29-17-9-3-10-18-29)23-26-34-31-21-19-30(20-22-31)33-24-11-4-12-25-33/h1-3,5-10,13-22H,4,11-12,23-26H2
InChIKeyVTFLYMOGEVIVHG-UHFFFAOYSA-N
XLogP7.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3,3,3-triphenylpropoxy)phenoxy]acetic acid
CID 54073970
1-[4-(3,3,3-trifluoropropoxy)phenyl]-1,4-diazepane
CID 64565536
ethoxyethane;1-phenylpiperidine
CID 174883082
(E)-3-[4-(3,3,3-triphenylpropoxy)phenyl]prop-2-enoic acid
CID 67569703
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine
CID 129300113
1-[4-(2-fluoroethoxy)phenyl]-1,4-diazepane
CID 80693994
1-(4-methoxyphenyl)piperidine
CID 10130315
phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone
CID 66783871
N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide
CID 110601077
4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2269315
2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane
CID 141308722

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine?
The IUPAC name of 1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine (CID 67570623) is 1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine.
What is the SMILES notation for 1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine?
The canonical SMILES for 1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine is c1ccc(C(CCOc2ccc(N3CCCCC3)cc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine?
The InChIKey is VTFLYMOGEVIVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO/c1-5-13-27(14-6-1)32(28-15-7-2-8-16-28,29-17-9-3-10-18-29)23-26-34-31-21-19-30(20-22-31)33-24-11-4-12-25-33/h1-3,5-10,13-22H,4,11-12,23-26H2.
What are the key properties of 1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine?
1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine has a molecular weight of 447.62 g/mol, XLogP of 7.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine is sourced from PubChem (CID 67570623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).