4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine

C28H33NO2 — CID 10811807

IUPAC4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H33NO2/c1-30-27-14-12-24(13-15-27)22-29-19-16-23(17-20-29)18-21-31-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,23,28H,16-22H2,1H3
InChIKeyFUXRBRXTWPQSKS-UHFFFAOYSA-N
MW415.58 g/mol
LogP6.10
Rot. Bonds9

About 4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine

4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine (PubChem CID 10811807) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine
PubChem CID10811807
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H33NO2/c1-30-27-14-12-24(13-15-27)22-29-19-16-23(17-20-29)18-21-31-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,23,28H,16-22H2,1H3
InChIKeyFUXRBRXTWPQSKS-UHFFFAOYSA-N
XLogP6.10
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine (CID 10811807) is 4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine is COc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine?
The InChIKey is FUXRBRXTWPQSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c1-30-27-14-12-24(13-15-27)22-29-19-16-23(17-20-29)18-21-31-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,23,28H,16-22H2,1H3.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine?
4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine has a molecular weight of 415.58 g/mol, XLogP of 6.10, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 10811807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).