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

C28H33NO — CID 10501125

IUPAC4-(2-benzhydryloxyethyl)-1-[(4-methylphenyl)methyl]piperidine
SMILESCc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H33NO/c1-23-12-14-25(15-13-23)22-29-19-16-24(17-20-29)18-21-30-28(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-15,24,28H,16-22H2,1H3
InChIKeyVKFGIPPHTLUGSN-UHFFFAOYSA-N
MW399.58 g/mol
LogP6.40
Rot. Bonds8

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

4-(2-benzhydryloxyethyl)-1-[(4-methylphenyl)methyl]piperidine (PubChem CID 10501125) has the molecular formula C28H33NO and a molecular weight of 399.58 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-[(4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-[(4-methylphenyl)methyl]piperidine
PubChem CID10501125
Molecular FormulaC28H33NO
Molecular Weight399.58 g/mol
Exact Mass399.26
IUPAC Name4-(2-benzhydryloxyethyl)-1-[(4-methylphenyl)methyl]piperidine
SMILESCc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H33NO/c1-23-12-14-25(15-13-23)22-29-19-16-24(17-20-29)18-21-30-28(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-15,24,28H,16-22H2,1H3
InChIKeyVKFGIPPHTLUGSN-UHFFFAOYSA-N
XLogP6.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(4-methylphenyl)methyl]piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(4-methylphenyl)methyl]piperidine (CID 10501125) is 4-(2-benzhydryloxyethyl)-1-[(4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-[(4-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-[(4-methylphenyl)methyl]piperidine is Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-[(4-methylphenyl)methyl]piperidine?
The InChIKey is VKFGIPPHTLUGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO/c1-23-12-14-25(15-13-23)22-29-19-16-24(17-20-29)18-21-30-28(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-15,24,28H,16-22H2,1H3.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-[(4-methylphenyl)methyl]piperidine?
4-(2-benzhydryloxyethyl)-1-[(4-methylphenyl)methyl]piperidine has a molecular weight of 399.58 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-[(4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 10501125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).