3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine

C28H34N2O — CID 10740538

IUPAC3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine
SMILESc1ccc(C(OCCC2CCN(CCCc3cccnc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H34N2O/c1-3-11-26(12-4-1)28(27-13-5-2-6-14-27)31-22-17-24-15-20-30(21-16-24)19-8-10-25-9-7-18-29-23-25/h1-7,9,11-14,18,23-24,28H,8,10,15-17,19-22H2
InChIKeyDCJVMJIANHUMED-UHFFFAOYSA-N
MW414.59 g/mol
LogP5.92
Rot. Bonds10

About 3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine

3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine (PubChem CID 10740538) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is 3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine.

Molecular Properties

Compound Name3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine
PubChem CID10740538
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC Name3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine
SMILESc1ccc(C(OCCC2CCN(CCCc3cccnc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H34N2O/c1-3-11-26(12-4-1)28(27-13-5-2-6-14-27)31-22-17-24-15-20-30(21-16-24)19-8-10-25-9-7-18-29-23-25/h1-7,9,11-14,18,23-24,28H,8,10,15-17,19-22H2
InChIKeyDCJVMJIANHUMED-UHFFFAOYSA-N
XLogP5.92
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine?
The IUPAC name of 3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine (CID 10740538) is 3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine.
What is the SMILES notation for 3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine?
The canonical SMILES for 3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine is c1ccc(C(OCCC2CCN(CCCc3cccnc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine?
The InChIKey is DCJVMJIANHUMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-3-11-26(12-4-1)28(27-13-5-2-6-14-27)31-22-17-24-15-20-30(21-16-24)19-8-10-25-9-7-18-29-23-25/h1-7,9,11-14,18,23-24,28H,8,10,15-17,19-22H2.
What are the key properties of 3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine?
3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine has a molecular weight of 414.59 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]propyl]pyridine is sourced from PubChem (CID 10740538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).