tert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate

C14H25N5O2 — CID 66486775

IUPACtert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2n[nH]c(CCN)n2)CC1
InChIInChI=1S/C14H25N5O2/c1-14(2,3)21-13(20)19-8-5-10(6-9-19)12-16-11(4-7-15)17-18-12/h10H,4-9,15H2,1-3H3,(H,16,17,18)
InChIKeyBTPIHNZQUJONID-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.42
Rot. Bonds3

About tert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate (PubChem CID 66486775) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is tert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
PubChem CID66486775
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Nametert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2n[nH]c(CCN)n2)CC1
InChIInChI=1S/C14H25N5O2/c1-14(2,3)21-13(20)19-8-5-10(6-9-19)12-16-11(4-7-15)17-18-12/h10H,4-9,15H2,1-3H3,(H,16,17,18)
InChIKeyBTPIHNZQUJONID-UHFFFAOYSA-N
XLogP1.42
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[2-(aminomethyl)-1,3-oxazol-4-yl]piperidine-1-carboxylate
CID 115051757
tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 66486974
tert-butyl 4-(aminomethyl)-5-methylazepane-1-carboxylate
CID 84801702
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-(2,5-dimethyl-1H-imidazol-4-yl)piperidine-1-carboxylate
CID 89492306
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
tert-butyl 4-(1H-pyrazolo[4,3-c]pyridin-6-yl)piperidine-1-carboxylate
CID 168797532
tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate
CID 168797881
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
tert-butyl 4-(3-aminopropyl)piperidine-1-carboxylate
CID 177067993
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate
CID 118960889

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate (CID 66486775) is tert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2n[nH]c(CCN)n2)CC1.
What is the InChIKey of tert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
The InChIKey is BTPIHNZQUJONID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-14(2,3)21-13(20)19-8-5-10(6-9-19)12-16-11(4-7-15)17-18-12/h10H,4-9,15H2,1-3H3,(H,16,17,18).
What are the key properties of tert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate has a molecular weight of 295.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 66486775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).