tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid

C12H22N6O2 — CID 67267284

IUPACtert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid
SMILESCn1nnnc1N1CCC(N(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C12H22N6O2/c1-12(2,3)18(11(19)20)9-5-7-17(8-6-9)10-13-14-15-16(10)4/h9H,5-8H2,1-4H3,(H,19,20)
InChIKeyVMPJYEXMJGUCAR-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.96
Rot. Bonds2

About tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid

tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid (PubChem CID 67267284) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid
PubChem CID67267284
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Nametert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid
SMILESCn1nnnc1N1CCC(N(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C12H22N6O2/c1-12(2,3)18(11(19)20)9-5-7-17(8-6-9)10-13-14-15-16(10)4/h9H,5-8H2,1-4H3,(H,19,20)
InChIKeyVMPJYEXMJGUCAR-UHFFFAOYSA-N
XLogP0.96
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid (CID 67267284) is tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid is Cn1nnnc1N1CCC(N(C(=O)O)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid?
The InChIKey is VMPJYEXMJGUCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-12(2,3)18(11(19)20)9-5-7-17(8-6-9)10-13-14-15-16(10)4/h9H,5-8H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid?
tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid has a molecular weight of 282.35 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 67267284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).