tert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate

C16H28N6O2 — CID 135144922

IUPACtert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
SMILESCn1nnc(C2CCCN2C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C16H28N6O2/c1-16(2,3)24-15(23)21-10-7-12(8-11-21)22-9-5-6-13(22)14-17-19-20(4)18-14/h12-13H,5-11H2,1-4H3
InChIKeyOJHJFYHDVUMZPT-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.75
Rot. Bonds2

About tert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate (PubChem CID 135144922) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
PubChem CID135144922
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Nametert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
SMILESCn1nnc(C2CCCN2C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C16H28N6O2/c1-16(2,3)24-15(23)21-10-7-12(8-11-21)22-9-5-6-13(22)14-17-19-20(4)18-14/h12-13H,5-11H2,1-4H3
InChIKeyOJHJFYHDVUMZPT-UHFFFAOYSA-N
XLogP1.75
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 2755963
tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate
CID 10759909
tert-butyl 4-[2-(chloromethoxycarbonyl)pyrrolidin-1-yl]piperidine-1-carboxylate
CID 165439091
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-2-carboxylic acid
CID 86615162
tert-butyl 4-(3-methyl-1,2,4-triazol-4-yl)piperidine-1-carboxylate
CID 170740823
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
CID 25219694
tert-butyl 4-(3-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
CID 177209110
tert-butyl 4-(3-methylpiperidin-1-yl)azepane-1-carboxylate
CID 165468989
tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 53432568
tert-butyl 4-[(3R)-3-methylpiperidin-1-yl]azepane-1-carboxylate
CID 156735138
tert-butyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 124508791

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate (CID 135144922) is tert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate is Cn1nnc(C2CCCN2C2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate?
The InChIKey is OJHJFYHDVUMZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-16(2,3)24-15(23)21-10-7-12(8-11-21)22-9-5-6-13(22)14-17-19-20(4)18-14/h12-13H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 135144922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).