N-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine

C19H35N5O — CID 46983715

IUPACN-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1cn(C2CCN(C3CCCCCC3)CC2)nn1
InChIInChI=1S/C19H35N5O/c1-22(13-14-25-2)15-17-16-24(21-20-17)19-9-11-23(12-10-19)18-7-5-3-4-6-8-18/h16,18-19H,3-15H2,1-2H3
InChIKeyQUYWIDURPVNOMN-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.72
Rot. Bonds7

About N-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine

N-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine (PubChem CID 46983715) has the molecular formula C19H35N5O and a molecular weight of 349.52 g/mol. Its IUPAC name is N-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine
PubChem CID46983715
Molecular FormulaC19H35N5O
Molecular Weight349.52 g/mol
Exact Mass349.28
IUPAC NameN-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1cn(C2CCN(C3CCCCCC3)CC2)nn1
InChIInChI=1S/C19H35N5O/c1-22(13-14-25-2)15-17-16-24(21-20-17)19-9-11-23(12-10-19)18-7-5-3-4-6-8-18/h16,18-19H,3-15H2,1-2H3
InChIKeyQUYWIDURPVNOMN-UHFFFAOYSA-N
XLogP2.72
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434
[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 26318869
4-(bromomethyl)-1-cycloheptyltriazole
CID 82930345
trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 46861983
trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 46861982
2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone
CID 46997089
(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride
CID 122156702
4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thian-4-yl)piperidine;bis(2,2,2-trifluoroacetic acid)
CID 154891868
2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid
CID 64783644
N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine
CID 30876971

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine (CID 46983715) is N-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine is COCCN(C)Cc1cn(C2CCN(C3CCCCCC3)CC2)nn1.
What is the InChIKey of N-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine?
The InChIKey is QUYWIDURPVNOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O/c1-22(13-14-25-2)15-17-16-24(21-20-17)19-9-11-23(12-10-19)18-7-5-3-4-6-8-18/h16,18-19H,3-15H2,1-2H3.
What are the key properties of N-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine?
N-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine has a molecular weight of 349.52 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 46983715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).