1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine

C13H26N6 — CID 55073697

IUPAC1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(CCn2cc(CN)nn2)CC1
InChIInChI=1S/C13H26N6/c1-17(2)10-12-3-5-18(6-4-12)7-8-19-11-13(9-14)15-16-19/h11-12H,3-10,14H2,1-2H3
InChIKeyQUQSMVPYICGODP-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.01
Rot. Bonds6

About 1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 55073697) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID55073697
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(CCn2cc(CN)nn2)CC1
InChIInChI=1S/C13H26N6/c1-17(2)10-12-3-5-18(6-4-12)7-8-19-11-13(9-14)15-16-19/h11-12H,3-10,14H2,1-2H3
InChIKeyQUQSMVPYICGODP-UHFFFAOYSA-N
XLogP0.01
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 15669973
1-(1-{[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl}-1H-1,2,3-triazol-4-yl)-N-methylmethanamine
CID 46983053
(3R,4R)-1-ethyl-3-fluoro-4-(4-methyltriazol-1-yl)piperidine
CID 124189029
(3R,4R)-3-fluoro-4-(4-methyltriazol-1-yl)piperidine
CID 124189032
(3S)-3-fluoro-4-(4-methyltriazol-1-yl)piperidine
CID 124189037
4-[[4-(Trifluoromethyl)triazol-1-yl]methyl]piperidine
CID 174287842
N,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine
CID 46984898
1-[3-[4-(Piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine
CID 51354872
[1-(cyclopropylmethyl)-1H-1,2,3-triazol-4-yl]methanamine
CID 62053951
N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
CID 62967065
[1-[2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
CID 62967069
N-methyl-1-[1-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine
CID 65529970

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine (CID 55073697) is 1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(CCn2cc(CN)nn2)CC1.
What is the InChIKey of 1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is QUQSMVPYICGODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6/c1-17(2)10-12-3-5-18(6-4-12)7-8-19-11-13(9-14)15-16-19/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 266.39 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 55073697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).