1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride

C13H26ClN5 — CID 120837955

IUPAC1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2cn(C(C)(C)C)nn2)C1.Cl
InChIInChI=1S/C13H25N5.ClH/c1-13(2,3)18-10-12(15-16-18)9-17-7-5-6-11(8-17)14-4;/h10-11,14H,5-9H2,1-4H3;1H
InChIKeyQZUXGVXCALMVLZ-UHFFFAOYSA-N
MW287.84 g/mol
LogP1.64
Rot. Bonds3

About 1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride

1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride (PubChem CID 120837955) has the molecular formula C13H26ClN5 and a molecular weight of 287.84 g/mol. Its IUPAC name is 1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
PubChem CID120837955
Molecular FormulaC13H26ClN5
Molecular Weight287.84 g/mol
Exact Mass287.19
IUPAC Name1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2cn(C(C)(C)C)nn2)C1.Cl
InChIInChI=1S/C13H25N5.ClH/c1-13(2,3)18-10-12(15-16-18)9-17-7-5-6-11(8-17)14-4;/h10-11,14H,5-9H2,1-4H3;1H
InChIKeyQZUXGVXCALMVLZ-UHFFFAOYSA-N
XLogP1.64
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.84
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride 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

[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 120836716
[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
[4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844444
1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
CID 120909003
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64771689
1-[(2-chlorothiophen-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120837875
N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 119919223
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62545800
N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine
CID 120838020
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119920036

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride (CID 120837955) is 1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride is CNC1CCCN(Cc2cn(C(C)(C)C)nn2)C1.Cl.
What is the InChIKey of 1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The InChIKey is QZUXGVXCALMVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5.ClH/c1-13(2,3)18-10-12(15-16-18)9-17-7-5-6-11(8-17)14-4;/h10-11,14H,5-9H2,1-4H3;1H.
What are the key properties of 1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride has a molecular weight of 287.84 g/mol, XLogP of 1.64, 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]-N-methylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120837955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).