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

C15H26N6O2 — CID 135144928

IUPACtert-butyl 4-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCCC2c2nn[nH]n2)CC1
InChIInChI=1S/C15H26N6O2/c1-15(2,3)23-14(22)20-9-6-11(7-10-20)21-8-4-5-12(21)13-16-18-19-17-13/h11-12H,4-10H2,1-3H3,(H,16,17,18,19)
InChIKeyGCNSJDOUAMCDBL-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.74
Rot. Bonds2

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

tert-butyl 4-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate (PubChem CID 135144928) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl 4-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
PubChem CID135144928
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Nametert-butyl 4-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCCC2c2nn[nH]n2)CC1
InChIInChI=1S/C15H26N6O2/c1-15(2,3)23-14(22)20-9-6-11(7-10-20)21-8-4-5-12(21)13-16-18-19-17-13/h11-12H,4-10H2,1-3H3,(H,16,17,18,19)
InChIKeyGCNSJDOUAMCDBL-UHFFFAOYSA-N
XLogP1.74
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (2S)-2-(1H-1,2,3,4-tetrazol-5-yl)pyrrolidine-1-carboxylate
CID 25224105
tert-butyl 4-[2-(2H-tetrazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110498056
tert-butyl 3-amino-3-(1H-1,2,3,4-tetrazol-5-yl)pyrrolidine-1-carboxylate hydrochloride
CID 145902271
tert-butyl 4-amino-4-(2H-1,2,3,4-tetrazol-5-yl)piperidine-1-carboxylate
CID 145913011
tert-butyl 4-[amino(2H-1,2,3,4-tetrazol-5-yl)methyl]piperidine-1-carboxylate
CID 170912369
tert-butyl 3-(1H-tetrazol-5-yl)piperidine-1-carboxylate
CID 10106305
Tert-butyl 4-(2H-tetrazol-5-YL)piperidine-1-carboxylate
CID 18187701
tert-butyl 2-(2H-tetrazol-5-yl)piperidine-1-carboxylate
CID 23650086
tert-butyl (2R)-2-(2H-tetrazol-5-yl)piperidine-1-carboxylate
CID 23650087
(R)-5-(1-Boc-pyrrolidin-2-YL)-1H-tetrazole
CID 24780601
Tert-butyl 3-(2H-tetrazol-5-YL)pyrrolidine-1-carboxylate
CID 53429460
tert-Butyl (R)-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate
CID 58430906

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate (CID 135144928) is tert-butyl 4-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCCC2c2nn[nH]n2)CC1.
What is the InChIKey of tert-butyl 4-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate?
The InChIKey is GCNSJDOUAMCDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-15(2,3)23-14(22)20-9-6-11(7-10-20)21-8-4-5-12(21)13-16-18-19-17-13/h11-12H,4-10H2,1-3H3,(H,16,17,18,19).
What are the key properties of tert-butyl 4-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 135144928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).