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

C16H25FN2O — CID 107692120

IUPAC2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(Cc1ccc(O)c(F)c1)CC1CCNCC1
InChIInChI=1S/C16H25FN2O/c1-12(2)19(10-13-5-7-18-8-6-13)11-14-3-4-16(20)15(17)9-14/h3-4,9,12-13,18,20H,5-8,10-11H2,1-2H3
InChIKeyYUCCUZLWXSCNFS-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.74
Rot. Bonds5

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

2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol (PubChem CID 107692120) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
PubChem CID107692120
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(Cc1ccc(O)c(F)c1)CC1CCNCC1
InChIInChI=1S/C16H25FN2O/c1-12(2)19(10-13-5-7-18-8-6-13)11-14-3-4-16(20)15(17)9-14/h3-4,9,12-13,18,20H,5-8,10-11H2,1-2H3
InChIKeyYUCCUZLWXSCNFS-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715714
N-[(3,4-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715630
4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol
CID 107693937
N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715212
N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698883
4-[[azepan-4-yl(methyl)amino]methyl]-2-fluorophenol
CID 107692170
5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 79698878
N-[(3-chloro-4-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698882
[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-fluorophenyl]boronic acid
CID 55000677
3-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]benzonitrile
CID 79715783
6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol
CID 79715932
N-[(3-fluoro-4-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715680

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol (CID 107692120) is 2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol is CC(C)N(Cc1ccc(O)c(F)c1)CC1CCNCC1.
What is the InChIKey of 2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol?
The InChIKey is YUCCUZLWXSCNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(2)19(10-13-5-7-18-8-6-13)11-14-3-4-16(20)15(17)9-14/h3-4,9,12-13,18,20H,5-8,10-11H2,1-2H3.
What are the key properties of 2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol?
2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol has a molecular weight of 280.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 107692120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).