3-[[methyl(piperidin-3-yl)amino]methyl]phenol

C13H20N2O — CID 63644225

IUPAC3-[[methyl(piperidin-3-yl)amino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)C1CCCNC1
InChIInChI=1S/C13H20N2O/c1-15(12-5-3-7-14-9-12)10-11-4-2-6-13(16)8-11/h2,4,6,8,12,14,16H,3,5,7,9-10H2,1H3
InChIKeyYHJAVTLYHVFEFO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds3

About 3-[[methyl(piperidin-3-yl)amino]methyl]phenol

3-[[methyl(piperidin-3-yl)amino]methyl]phenol (PubChem CID 63644225) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[[methyl(piperidin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[methyl(piperidin-3-yl)amino]methyl]phenol
PubChem CID63644225
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[[methyl(piperidin-3-yl)amino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)C1CCCNC1
InChIInChI=1S/C13H20N2O/c1-15(12-5-3-7-14-9-12)10-11-4-2-6-13(16)8-11/h2,4,6,8,12,14,16H,3,5,7,9-10H2,1H3
InChIKeyYHJAVTLYHVFEFO-UHFFFAOYSA-N
XLogP1.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278
2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 55249893
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041
N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 62327410
N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106817825
N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643681
3-(piperidin-3-ylmethyl)phenol
CID 57155980
N-[(3-cyclopropylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 79984146
N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55248730
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 71641627
(3R)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66569420

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(piperidin-3-yl)amino]methyl]phenol?
The IUPAC name of 3-[[methyl(piperidin-3-yl)amino]methyl]phenol (CID 63644225) is 3-[[methyl(piperidin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[methyl(piperidin-3-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[methyl(piperidin-3-yl)amino]methyl]phenol is CN(Cc1cccc(O)c1)C1CCCNC1.
What is the InChIKey of 3-[[methyl(piperidin-3-yl)amino]methyl]phenol?
The InChIKey is YHJAVTLYHVFEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(12-5-3-7-14-9-12)10-11-4-2-6-13(16)8-11/h2,4,6,8,12,14,16H,3,5,7,9-10H2,1H3.
What are the key properties of 3-[[methyl(piperidin-3-yl)amino]methyl]phenol?
3-[[methyl(piperidin-3-yl)amino]methyl]phenol has a molecular weight of 220.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(piperidin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 63644225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).