1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine

C25H29NOS — CID 10691872

IUPAC1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine
SMILESc1ccc(CN2CCC(CCOC(c3ccccc3)c3cccs3)CC2)cc1
InChIInChI=1S/C25H29NOS/c1-3-8-22(9-4-1)20-26-16-13-21(14-17-26)15-18-27-25(24-12-7-19-28-24)23-10-5-2-6-11-23/h1-12,19,21,25H,13-18,20H2
InChIKeyPFQCSXWLNVKIAS-UHFFFAOYSA-N
MW391.58 g/mol
LogP6.16
Rot. Bonds8

About 1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine

1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine (PubChem CID 10691872) has the molecular formula C25H29NOS and a molecular weight of 391.58 g/mol. Its IUPAC name is 1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine
PubChem CID10691872
Molecular FormulaC25H29NOS
Molecular Weight391.58 g/mol
Exact Mass391.20
IUPAC Name1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine
SMILESc1ccc(CN2CCC(CCOC(c3ccccc3)c3cccs3)CC2)cc1
InChIInChI=1S/C25H29NOS/c1-3-8-22(9-4-1)20-26-16-13-21(14-17-26)15-18-27-25(24-12-7-19-28-24)23-10-5-2-6-11-23/h1-12,19,21,25H,13-18,20H2
InChIKeyPFQCSXWLNVKIAS-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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Related Compounds

1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 25167087
[(6R)-1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl]methanol
CID 49798707
1'-Benzylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56651522
1'-Benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 70676937
1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine
CID 25164276
N-benzyl-1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanamine
CID 25164277
1-Benzylspiro[piperidine-4,4'-thieno[3,2-c]pyran]
CID 25166886
1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile
CID 25167085
2-(1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile
CID 25167086
2-(1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol
CID 25167288
(1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanamine
CID 25167291
(1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol
CID 59419574

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine?
The IUPAC name of 1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine (CID 10691872) is 1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine.
What is the SMILES notation for 1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine?
The canonical SMILES for 1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine is c1ccc(CN2CCC(CCOC(c3ccccc3)c3cccs3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine?
The InChIKey is PFQCSXWLNVKIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NOS/c1-3-8-22(9-4-1)20-26-16-13-21(14-17-26)15-18-27-25(24-12-7-19-28-24)23-10-5-2-6-11-23/h1-12,19,21,25H,13-18,20H2.
What are the key properties of 1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine?
1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]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 1-benzyl-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine is sourced from PubChem (CID 10691872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).