4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine

C23H26N2O — CID 14198560

IUPAC4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine
SMILESCOc1ccccc1C1CCN(Cc2ccc(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C23H26N2O/c1-26-23-10-6-5-9-21(23)18-13-15-25(16-14-18)17-20-11-12-22(24-20)19-7-3-2-4-8-19/h2-12,18,24H,13-17H2,1H3
InChIKeyCHUWNLPOBRVCIL-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.07
Rot. Bonds5

About 4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine

4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine (PubChem CID 14198560) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine
PubChem CID14198560
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine
SMILESCOc1ccccc1C1CCN(Cc2ccc(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C23H26N2O/c1-26-23-10-6-5-9-21(23)18-13-15-25(16-14-18)17-20-11-12-22(24-20)19-7-3-2-4-8-19/h2-12,18,24H,13-17H2,1H3
InChIKeyCHUWNLPOBRVCIL-UHFFFAOYSA-N
XLogP5.07
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine?
The IUPAC name of 4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine (CID 14198560) is 4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine is COc1ccccc1C1CCN(Cc2ccc(-c3ccccc3)[nH]2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine?
The InChIKey is CHUWNLPOBRVCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-26-23-10-6-5-9-21(23)18-13-15-25(16-14-18)17-20-11-12-22(24-20)19-7-3-2-4-8-19/h2-12,18,24H,13-17H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine?
4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine has a molecular weight of 346.47 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperidine is sourced from PubChem (CID 14198560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).