3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine

C12H23N5 — CID 107040761

IUPAC3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2cn(C)nn2)CCC1NC
InChIInChI=1S/C12H23N5/c1-4-10-7-17(6-5-12(10)13-2)9-11-8-16(3)15-14-11/h8,10,12-13H,4-7,9H2,1-3H3
InChIKeyVKHRFZAVKDPZLL-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.63
Rot. Bonds4

About 3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine

3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine (PubChem CID 107040761) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine
PubChem CID107040761
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2cn(C)nn2)CCC1NC
InChIInChI=1S/C12H23N5/c1-4-10-7-17(6-5-12(10)13-2)9-11-8-16(3)15-14-11/h8,10,12-13H,4-7,9H2,1-3H3
InChIKeyVKHRFZAVKDPZLL-UHFFFAOYSA-N
XLogP0.63
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine 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

3-[3-ethyl-4-(methylamino)piperidin-1-yl]propan-1-ol
CID 114507793
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 107043593
(3S)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885719
(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885940
4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole
CID 131101712
3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 114507825
1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine
CID 114507992
4-bromo-1-[(1-methyltriazol-4-yl)methyl]azepane
CID 130678061
3-ethyl-N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine
CID 114507946
3-[3-ethyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114507781
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104869160
1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine
CID 114507833

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine (CID 107040761) is 3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine is CCC1CN(Cc2cn(C)nn2)CCC1NC.
What is the InChIKey of 3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is VKHRFZAVKDPZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-4-10-7-17(6-5-12(10)13-2)9-11-8-16(3)15-14-11/h8,10,12-13H,4-7,9H2,1-3H3.
What are the key properties of 3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine?
3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 107040761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).