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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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).