1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine

C14H27N5O — CID 3193567

IUPAC1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine
SMILESCOCCn1nnnc1C(C(C)C)N1CCCC(C)C1
InChIInChI=1S/C14H27N5O/c1-11(2)13(18-7-5-6-12(3)10-18)14-15-16-17-19(14)8-9-20-4/h11-13H,5-10H2,1-4H3
InChIKeyZMZONOIDJMWUHZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.75
Rot. Bonds6

About 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine

1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine (PubChem CID 3193567) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine
PubChem CID3193567
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine
SMILESCOCCn1nnnc1C(C(C)C)N1CCCC(C)C1
InChIInChI=1S/C14H27N5O/c1-11(2)13(18-7-5-6-12(3)10-18)14-15-16-17-19(14)8-9-20-4/h11-13H,5-10H2,1-4H3
InChIKeyZMZONOIDJMWUHZ-UHFFFAOYSA-N
XLogP1.75
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine?
The IUPAC name of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine (CID 3193567) is 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine.
What is the SMILES notation for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine?
The canonical SMILES for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine is COCCn1nnnc1C(C(C)C)N1CCCC(C)C1.
What is the InChIKey of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine?
The InChIKey is ZMZONOIDJMWUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-11(2)13(18-7-5-6-12(3)10-18)14-15-16-17-19(14)8-9-20-4/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine?
1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine has a molecular weight of 281.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine is sourced from PubChem (CID 3193567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).