2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol

C16H26N2O2 — CID 63637767

IUPAC2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol
SMILESCCCN(Cc1ccc(OC)c(O)c1)C1CCCNC1
InChIInChI=1S/C16H26N2O2/c1-3-9-18(14-5-4-8-17-11-14)12-13-6-7-16(20-2)15(19)10-13/h6-7,10,14,17,19H,3-5,8-9,11-12H2,1-2H3
InChIKeyODWHHNFSQAANAR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds6

About 2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol

2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol (PubChem CID 63637767) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol
PubChem CID63637767
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol
SMILESCCCN(Cc1ccc(OC)c(O)c1)C1CCCNC1
InChIInChI=1S/C16H26N2O2/c1-3-9-18(14-5-4-8-17-11-14)12-13-6-7-16(20-2)15(19)10-13/h6-7,10,14,17,19H,3-5,8-9,11-12H2,1-2H3
InChIKeyODWHHNFSQAANAR-UHFFFAOYSA-N
XLogP2.36
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204949
4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 66480396
2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 103815780
2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride
CID 119930822
5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 65341307
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 119301226
N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine
CID 63636894
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041
2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63644353

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol (CID 63637767) is 2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol is CCCN(Cc1ccc(OC)c(O)c1)C1CCCNC1.
What is the InChIKey of 2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol?
The InChIKey is ODWHHNFSQAANAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-9-18(14-5-4-8-17-11-14)12-13-6-7-16(20-2)15(19)10-13/h6-7,10,14,17,19H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol?
2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol is sourced from PubChem (CID 63637767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).