3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol

C17H25N5O — CID 45240942

IUPAC3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)Cc1cn(CC2CCCNC2)nn1
InChIInChI=1S/C17H25N5O/c1-21(10-14-4-2-6-17(23)8-14)12-16-13-22(20-19-16)11-15-5-3-7-18-9-15/h2,4,6,8,13,15,18,23H,3,5,7,9-12H2,1H3
InChIKeyIFIOCFGIWFENMB-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.62
Rot. Bonds6

About 3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol

3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol (PubChem CID 45240942) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol
PubChem CID45240942
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)Cc1cn(CC2CCCNC2)nn1
InChIInChI=1S/C17H25N5O/c1-21(10-14-4-2-6-17(23)8-14)12-16-13-22(20-19-16)11-15-5-3-7-18-9-15/h2,4,6,8,13,15,18,23H,3,5,7,9-12H2,1H3
InChIKeyIFIOCFGIWFENMB-UHFFFAOYSA-N
XLogP1.62
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
CID 56854108
3-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 63644225
4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 166235389
3-(piperidin-3-ylmethyl)phenol
CID 57155980
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 119930674
1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564113
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 50980745
N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 103815912

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol?
The IUPAC name of 3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol (CID 45240942) is 3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol?
The canonical SMILES for 3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol is CN(Cc1cccc(O)c1)Cc1cn(CC2CCCNC2)nn1.
What is the InChIKey of 3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol?
The InChIKey is IFIOCFGIWFENMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-21(10-14-4-2-6-17(23)8-14)12-16-13-22(20-19-16)11-15-5-3-7-18-9-15/h2,4,6,8,13,15,18,23H,3,5,7,9-12H2,1H3.
What are the key properties of 3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol?
3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol has a molecular weight of 315.42 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol is sourced from PubChem (CID 45240942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).