1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine

C18H27N5O2 — CID 645560

IUPAC1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine
SMILESCOCCn1nnnc1C(c1ccc(OC)cc1)N1CCC(C)CC1
InChIInChI=1S/C18H27N5O2/c1-14-8-10-22(11-9-14)17(15-4-6-16(25-3)7-5-15)18-19-20-21-23(18)12-13-24-2/h4-7,14,17H,8-13H2,1-3H3
InChIKeyFZOASIDIPQPXGQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.15
Rot. Bonds7

About 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine

1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine (PubChem CID 645560) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine
PubChem CID645560
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine
SMILESCOCCn1nnnc1C(c1ccc(OC)cc1)N1CCC(C)CC1
InChIInChI=1S/C18H27N5O2/c1-14-8-10-22(11-9-14)17(15-4-6-16(25-3)7-5-15)18-19-20-21-23(18)12-13-24-2/h4-7,14,17H,8-13H2,1-3H3
InChIKeyFZOASIDIPQPXGQ-UHFFFAOYSA-N
XLogP2.15
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine?
The IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine (CID 645560) is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine is COCCn1nnnc1C(c1ccc(OC)cc1)N1CCC(C)CC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine?
The InChIKey is FZOASIDIPQPXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14-8-10-22(11-9-14)17(15-4-6-16(25-3)7-5-15)18-19-20-21-23(18)12-13-24-2/h4-7,14,17H,8-13H2,1-3H3.
What are the key properties of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine?
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine has a molecular weight of 345.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine is sourced from PubChem (CID 645560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).