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

C12H23N5 — CID 107043593

IUPACN-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2cn(C)nn2)C1
InChIInChI=1S/C12H23N5/c1-3-13-7-11-5-4-6-17(8-11)10-12-9-16(2)15-14-12/h9,11,13H,3-8,10H2,1-2H3
InChIKeyUAYWWILOUBRHLZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.64
Rot. Bonds5

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

N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine (PubChem CID 107043593) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine
PubChem CID107043593
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2cn(C)nn2)C1
InChIInChI=1S/C12H23N5/c1-3-13-7-11-5-4-6-17(8-11)10-12-9-16(2)15-14-12/h9,11,13H,3-8,10H2,1-2H3
InChIKeyUAYWWILOUBRHLZ-UHFFFAOYSA-N
XLogP0.64
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104869160
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 79267719
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
4-bromo-1-[(1-methyltriazol-4-yl)methyl]azepane
CID 130678061
N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54794583
3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056206
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
5-[3-(ethylaminomethyl)piperidin-1-yl]pentan-1-ol
CID 63848813
N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793865
3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine
CID 107040761
N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine
CID 63847232
N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62581148

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine (CID 107043593) is N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(Cc2cn(C)nn2)C1.
What is the InChIKey of N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine?
The InChIKey is UAYWWILOUBRHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-13-7-11-5-4-6-17(8-11)10-12-9-16(2)15-14-12/h9,11,13H,3-8,10H2,1-2H3.
What are the key properties of N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine?
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 107043593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).