N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine

C14H27N5O — CID 63849659

IUPACN-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCN(Cc2nnc(C)n2C)CC1
InChIInChI=1S/C14H27N5O/c1-12-16-17-14(18(12)2)11-19-7-4-13(5-8-19)10-15-6-9-20-3/h13,15H,4-11H2,1-3H3
InChIKeySEBQKBMNTOVWLQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.57
Rot. Bonds7

About N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine

N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine (PubChem CID 63849659) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
PubChem CID63849659
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC NameN-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCN(Cc2nnc(C)n2C)CC1
InChIInChI=1S/C14H27N5O/c1-12-16-17-14(18(12)2)11-19-7-4-13(5-8-19)10-15-6-9-20-3/h13,15H,4-11H2,1-3H3
InChIKeySEBQKBMNTOVWLQ-UHFFFAOYSA-N
XLogP0.57
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine (CID 63849659) is N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine is COCCNCC1CCN(Cc2nnc(C)n2C)CC1.
What is the InChIKey of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is SEBQKBMNTOVWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-12-16-17-14(18(12)2)11-19-7-4-13(5-8-19)10-15-6-9-20-3/h13,15H,4-11H2,1-3H3.
What are the key properties of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 281.40 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63849659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).