[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine

C13H25N5 — CID 120836716

IUPAC[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine
SMILESCC(C)(C)n1cc(CN2CCCC(CN)C2)nn1
InChIInChI=1S/C13H25N5/c1-13(2,3)18-10-12(15-16-18)9-17-6-4-5-11(7-14)8-17/h10-11H,4-9,14H2,1-3H3
InChIKeyNQYCYJZSHLQQLN-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.20
Rot. Bonds3

About [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine

[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine (PubChem CID 120836716) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine
PubChem CID120836716
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine
SMILESCC(C)(C)n1cc(CN2CCCC(CN)C2)nn1
InChIInChI=1S/C13H25N5/c1-13(2,3)18-10-12(15-16-18)9-17-6-4-5-11(7-14)8-17/h10-11H,4-9,14H2,1-3H3
InChIKeyNQYCYJZSHLQQLN-UHFFFAOYSA-N
XLogP1.20
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine with MolForge

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Related Compounds

1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120837955
[4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844444
[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836097
(3S)-1-[(1-tert-butyltriazol-4-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120845822
1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
CID 120909003
[1-(2,2-difluoropropyl)piperidin-3-yl]methanamine
CID 84664103
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104869160
2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 154797944
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 107043593
[1-[(4-trimethylsilylphenyl)methyl]piperidin-3-yl]methanamine
CID 103438148
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine
CID 113288904
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839

Frequently Asked Questions

What is the IUPAC name of [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine (CID 120836716) is [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine is CC(C)(C)n1cc(CN2CCCC(CN)C2)nn1.
What is the InChIKey of [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine?
The InChIKey is NQYCYJZSHLQQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-13(2,3)18-10-12(15-16-18)9-17-6-4-5-11(7-14)8-17/h10-11H,4-9,14H2,1-3H3.
What are the key properties of [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine?
[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine has a molecular weight of 251.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 120836716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).