4-(2-benzhydryloxyethyl)-1-(thiophen-2-ylmethyl)piperidine

C25H29NOS — CID 10500677

IUPAC4-(2-benzhydryloxyethyl)-1-(thiophen-2-ylmethyl)piperidine
SMILESc1ccc(C(OCCC2CCN(Cc3cccs3)CC2)c2ccccc2)cc1
InChIInChI=1S/C25H29NOS/c1-3-8-22(9-4-1)25(23-10-5-2-6-11-23)27-18-15-21-13-16-26(17-14-21)20-24-12-7-19-28-24/h1-12,19,21,25H,13-18,20H2
InChIKeyGNXIVDVAGJXKKP-UHFFFAOYSA-N
MW391.58 g/mol
LogP6.16
Rot. Bonds8

About 4-(2-benzhydryloxyethyl)-1-(thiophen-2-ylmethyl)piperidine

4-(2-benzhydryloxyethyl)-1-(thiophen-2-ylmethyl)piperidine (PubChem CID 10500677) has the molecular formula C25H29NOS and a molecular weight of 391.58 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-(thiophen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-(thiophen-2-ylmethyl)piperidine
PubChem CID10500677
Molecular FormulaC25H29NOS
Molecular Weight391.58 g/mol
Exact Mass391.20
IUPAC Name4-(2-benzhydryloxyethyl)-1-(thiophen-2-ylmethyl)piperidine
SMILESc1ccc(C(OCCC2CCN(Cc3cccs3)CC2)c2ccccc2)cc1
InChIInChI=1S/C25H29NOS/c1-3-8-22(9-4-1)25(23-10-5-2-6-11-23)27-18-15-21-13-16-26(17-14-21)20-24-12-7-19-28-24/h1-12,19,21,25H,13-18,20H2
InChIKeyGNXIVDVAGJXKKP-UHFFFAOYSA-N
XLogP6.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.58
LogP ≤ 56.16
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-(thiophen-2-ylmethyl)piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-(thiophen-2-ylmethyl)piperidine (CID 10500677) is 4-(2-benzhydryloxyethyl)-1-(thiophen-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-(thiophen-2-ylmethyl)piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-(thiophen-2-ylmethyl)piperidine is c1ccc(C(OCCC2CCN(Cc3cccs3)CC2)c2ccccc2)cc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-(thiophen-2-ylmethyl)piperidine?
The InChIKey is GNXIVDVAGJXKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NOS/c1-3-8-22(9-4-1)25(23-10-5-2-6-11-23)27-18-15-21-13-16-26(17-14-21)20-24-12-7-19-28-24/h1-12,19,21,25H,13-18,20H2.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-(thiophen-2-ylmethyl)piperidine?
4-(2-benzhydryloxyethyl)-1-(thiophen-2-ylmethyl)piperidine has a molecular weight of 391.58 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-(thiophen-2-ylmethyl)piperidine is sourced from PubChem (CID 10500677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).