1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine

C19H23N5OS — CID 3193552

IUPAC1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
SMILESCOc1ccc(Cn2nnnc2C(c2cccs2)N2CCCCC2)cc1
InChIInChI=1S/C19H23N5OS/c1-25-16-9-7-15(8-10-16)14-24-19(20-21-22-24)18(17-6-5-13-26-17)23-11-3-2-4-12-23/h5-10,13,18H,2-4,11-12,14H2,1H3
InChIKeyYJXJZLDKQQWLBY-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.37
Rot. Bonds6

About 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine

1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine (PubChem CID 3193552) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine.

Molecular Properties

Compound Name1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
PubChem CID3193552
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
SMILESCOc1ccc(Cn2nnnc2C(c2cccs2)N2CCCCC2)cc1
InChIInChI=1S/C19H23N5OS/c1-25-16-9-7-15(8-10-16)14-24-19(20-21-22-24)18(17-6-5-13-26-17)23-11-3-2-4-12-23/h5-10,13,18H,2-4,11-12,14H2,1H3
InChIKeyYJXJZLDKQQWLBY-UHFFFAOYSA-N
XLogP3.37
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
The IUPAC name of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine (CID 3193552) is 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine.
What is the SMILES notation for 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
The canonical SMILES for 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine is COc1ccc(Cn2nnnc2C(c2cccs2)N2CCCCC2)cc1.
What is the InChIKey of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
The InChIKey is YJXJZLDKQQWLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-25-16-9-7-15(8-10-16)14-24-19(20-21-22-24)18(17-6-5-13-26-17)23-11-3-2-4-12-23/h5-10,13,18H,2-4,11-12,14H2,1H3.
What are the key properties of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine has a molecular weight of 369.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine is sourced from PubChem (CID 3193552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).