2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol

C14H21FN2O — CID 107692165

IUPAC2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
SMILESCN(Cc1ccc(O)c(F)c1)CC1CCCNC1
InChIInChI=1S/C14H21FN2O/c1-17(10-12-3-2-6-16-8-12)9-11-4-5-14(18)13(15)7-11/h4-5,7,12,16,18H,2-3,6,8-10H2,1H3
InChIKeyPGARSYLRQQNSSX-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.96
Rot. Bonds4

About 2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol

2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol (PubChem CID 107692165) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
PubChem CID107692165
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
SMILESCN(Cc1ccc(O)c(F)c1)CC1CCCNC1
InChIInChI=1S/C14H21FN2O/c1-17(10-12-3-2-6-16-8-12)9-11-4-5-14(18)13(15)7-11/h4-5,7,12,16,18H,2-3,6,8-10H2,1H3
InChIKeyPGARSYLRQQNSSX-UHFFFAOYSA-N
XLogP1.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
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
2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 107694066
4-[[azepan-4-yl(methyl)amino]methyl]-2-fluorophenol
CID 107692170
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623795
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol (CID 107692165) is 2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol is CN(Cc1ccc(O)c(F)c1)CC1CCCNC1.
What is the InChIKey of 2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol?
The InChIKey is PGARSYLRQQNSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-17(10-12-3-2-6-16-8-12)9-11-4-5-14(18)13(15)7-11/h4-5,7,12,16,18H,2-3,6,8-10H2,1H3.
What are the key properties of 2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol?
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol has a molecular weight of 252.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 107692165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).