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

C29H31NOS — CID 10527139

IUPAC4-(2-benzhydryloxyethyl)-1-(1-benzothiophen-2-ylmethyl)piperidine
SMILESc1ccc(C(OCCC2CCN(Cc3cc4ccccc4s3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H31NOS/c1-3-9-24(10-4-1)29(25-11-5-2-6-12-25)31-20-17-23-15-18-30(19-16-23)22-27-21-26-13-7-8-14-28(26)32-27/h1-14,21,23,29H,15-20,22H2
InChIKeyOQDOOIHFFJZMKP-UHFFFAOYSA-N
MW441.64 g/mol
LogP7.31
Rot. Bonds8

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

4-(2-benzhydryloxyethyl)-1-(1-benzothiophen-2-ylmethyl)piperidine (PubChem CID 10527139) has the molecular formula C29H31NOS and a molecular weight of 441.64 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-(1-benzothiophen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-(1-benzothiophen-2-ylmethyl)piperidine
PubChem CID10527139
Molecular FormulaC29H31NOS
Molecular Weight441.64 g/mol
Exact Mass441.21
IUPAC Name4-(2-benzhydryloxyethyl)-1-(1-benzothiophen-2-ylmethyl)piperidine
SMILESc1ccc(C(OCCC2CCN(Cc3cc4ccccc4s3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H31NOS/c1-3-9-24(10-4-1)29(25-11-5-2-6-12-25)31-20-17-23-15-18-30(19-16-23)22-27-21-26-13-7-8-14-28(26)32-27/h1-14,21,23,29H,15-20,22H2
InChIKeyOQDOOIHFFJZMKP-UHFFFAOYSA-N
XLogP7.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.64
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-benzhydryloxyethyl)-1-(1-benzothiophen-2-ylmethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-(1-benzothiophen-2-ylmethyl)piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-(1-benzothiophen-2-ylmethyl)piperidine (CID 10527139) is 4-(2-benzhydryloxyethyl)-1-(1-benzothiophen-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-(1-benzothiophen-2-ylmethyl)piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-(1-benzothiophen-2-ylmethyl)piperidine is c1ccc(C(OCCC2CCN(Cc3cc4ccccc4s3)CC2)c2ccccc2)cc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-(1-benzothiophen-2-ylmethyl)piperidine?
The InChIKey is OQDOOIHFFJZMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NOS/c1-3-9-24(10-4-1)29(25-11-5-2-6-12-25)31-20-17-23-15-18-30(19-16-23)22-27-21-26-13-7-8-14-28(26)32-27/h1-14,21,23,29H,15-20,22H2.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-(1-benzothiophen-2-ylmethyl)piperidine?
4-(2-benzhydryloxyethyl)-1-(1-benzothiophen-2-ylmethyl)piperidine has a molecular weight of 441.64 g/mol, XLogP of 7.31, 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-(1-benzothiophen-2-ylmethyl)piperidine is sourced from PubChem (CID 10527139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).