8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline

C30H32N2O — CID 44529539

IUPAC8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline
SMILESc1ccc(C(OCCC2CCN(Cc3cccc4cccnc34)CC2)c2ccccc2)cc1
InChIInChI=1S/C30H32N2O/c1-3-9-26(10-4-1)30(27-11-5-2-6-12-27)33-22-18-24-16-20-32(21-17-24)23-28-14-7-13-25-15-8-19-31-29(25)28/h1-15,19,24,30H,16-18,20-23H2
InChIKeyKQLGRBLILWYDLB-UHFFFAOYSA-N
MW436.60 g/mol
LogP6.64
Rot. Bonds8

About 8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline

8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline (PubChem CID 44529539) has the molecular formula C30H32N2O and a molecular weight of 436.60 g/mol. Its IUPAC name is 8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline
PubChem CID44529539
Molecular FormulaC30H32N2O
Molecular Weight436.60 g/mol
Exact Mass436.25
IUPAC Name8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline
SMILESc1ccc(C(OCCC2CCN(Cc3cccc4cccnc34)CC2)c2ccccc2)cc1
InChIInChI=1S/C30H32N2O/c1-3-9-26(10-4-1)30(27-11-5-2-6-12-27)33-22-18-24-16-20-32(21-17-24)23-28-14-7-13-25-15-8-19-31-29(25)28/h1-15,19,24,30H,16-18,20-23H2
InChIKeyKQLGRBLILWYDLB-UHFFFAOYSA-N
XLogP6.64
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline?
The IUPAC name of 8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline (CID 44529539) is 8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline is c1ccc(C(OCCC2CCN(Cc3cccc4cccnc34)CC2)c2ccccc2)cc1.
What is the InChIKey of 8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline?
The InChIKey is KQLGRBLILWYDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O/c1-3-9-26(10-4-1)30(27-11-5-2-6-12-27)33-22-18-24-16-20-32(21-17-24)23-28-14-7-13-25-15-8-19-31-29(25)28/h1-15,19,24,30H,16-18,20-23H2.
What are the key properties of 8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline?
8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline has a molecular weight of 436.60 g/mol, XLogP of 6.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 44529539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).