methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate

C9H15N5O2 — CID 115538236

IUPACmethyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nnnn1C
InChIInChI=1S/C9H15N5O2/c1-13-9(10-11-12-13)14-6-4-3-5-7(14)8(15)16-2/h7H,3-6H2,1-2H3
InChIKeyCXIITANXSNIOPN-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.26
Rot. Bonds2

About methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate

methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate (PubChem CID 115538236) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate
PubChem CID115538236
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Namemethyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nnnn1C
InChIInChI=1S/C9H15N5O2/c1-13-9(10-11-12-13)14-6-4-3-5-7(14)8(15)16-2/h7H,3-6H2,1-2H3
InChIKeyCXIITANXSNIOPN-UHFFFAOYSA-N
XLogP-0.26
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate (CID 115538236) is methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1nnnn1C.
What is the InChIKey of methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate?
The InChIKey is CXIITANXSNIOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-13-9(10-11-12-13)14-6-4-3-5-7(14)8(15)16-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate?
methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate has a molecular weight of 225.25 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115538236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).