3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine

C24H28N2OS — CID 10810543

IUPAC3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine
SMILESc1ccc(C(OCCC2CCN(Cc3cccnc3)CC2)c2cccs2)cc1
InChIInChI=1S/C24H28N2OS/c1-2-7-22(8-3-1)24(23-9-5-17-28-23)27-16-12-20-10-14-26(15-11-20)19-21-6-4-13-25-18-21/h1-9,13,17-18,20,24H,10-12,14-16,19H2
InChIKeyXVRYEBUIBPTROQ-UHFFFAOYSA-N
MW392.57 g/mol
LogP5.55
Rot. Bonds8

About 3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine

3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine (PubChem CID 10810543) has the molecular formula C24H28N2OS and a molecular weight of 392.57 g/mol. Its IUPAC name is 3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine
PubChem CID10810543
Molecular FormulaC24H28N2OS
Molecular Weight392.57 g/mol
Exact Mass392.19
IUPAC Name3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine
SMILESc1ccc(C(OCCC2CCN(Cc3cccnc3)CC2)c2cccs2)cc1
InChIInChI=1S/C24H28N2OS/c1-2-7-22(8-3-1)24(23-9-5-17-28-23)27-16-12-20-10-14-26(15-11-20)19-21-6-4-13-25-18-21/h1-9,13,17-18,20,24H,10-12,14-16,19H2
InChIKeyXVRYEBUIBPTROQ-UHFFFAOYSA-N
XLogP5.55
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine (CID 10810543) is 3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine is c1ccc(C(OCCC2CCN(Cc3cccnc3)CC2)c2cccs2)cc1.
What is the InChIKey of 3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is XVRYEBUIBPTROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2OS/c1-2-7-22(8-3-1)24(23-9-5-17-28-23)27-16-12-20-10-14-26(15-11-20)19-21-6-4-13-25-18-21/h1-9,13,17-18,20,24H,10-12,14-16,19H2.
What are the key properties of 3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine?
3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine has a molecular weight of 392.57 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 10810543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).