tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate

C17H24N6O2 — CID 18539221

IUPACtert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C17H24N6O2/c1-17(2,3)25-16(24)22-10-8-14(9-11-22)19-13-4-6-15(7-5-13)23-12-18-20-21-23/h4-7,12,14,19H,8-11H2,1-3H3
InChIKeyZZJHNFFPQVRCLF-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.47
Rot. Bonds3

About tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate

tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate (PubChem CID 18539221) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate
PubChem CID18539221
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Nametert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C17H24N6O2/c1-17(2,3)25-16(24)22-10-8-14(9-11-22)19-13-4-6-15(7-5-13)23-12-18-20-21-23/h4-7,12,14,19H,8-11H2,1-3H3
InChIKeyZZJHNFFPQVRCLF-UHFFFAOYSA-N
XLogP2.47
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine
CID 28621696
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 59708623
tert-butyl (3S)-3-(4-fluoroanilino)pyrrolidine-1-carboxylate
CID 97056055
tert-butyl (4S)-4-[4-(2-hydroxyethyl)anilino]azepane-1-carboxylate
CID 99853020
methyl (3S)-3-[[4-(tetrazol-1-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 95777987
tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate
CID 55736386
tert-butyl 3-(4-methoxyanilino)pyrrolidine-1-carboxylate
CID 11150503
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid
CID 63302717
tert-butyl 4-(3H-benzimidazol-5-ylamino)piperidine-1-carboxylate
CID 22100837
tert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate
CID 113227108
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate (CID 18539221) is tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate?
The InChIKey is ZZJHNFFPQVRCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-17(2,3)25-16(24)22-10-8-14(9-11-22)19-13-4-6-15(7-5-13)23-12-18-20-21-23/h4-7,12,14,19H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate?
tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate is sourced from PubChem (CID 18539221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).