2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol

C15H22F2N2O — CID 79831124

IUPAC2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol
SMILESCC(CNCc1cc(F)c(O)c(F)c1)N1CCCCC1
InChIInChI=1S/C15H22F2N2O/c1-11(19-5-3-2-4-6-19)9-18-10-12-7-13(16)15(20)14(17)8-12/h7-8,11,18,20H,2-6,9-10H2,1H3
InChIKeyNNUOGLGZUXYATL-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.63
Rot. Bonds5

About 2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol

2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol (PubChem CID 79831124) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol
PubChem CID79831124
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol
SMILESCC(CNCc1cc(F)c(O)c(F)c1)N1CCCCC1
InChIInChI=1S/C15H22F2N2O/c1-11(19-5-3-2-4-6-19)9-18-10-12-7-13(16)15(20)14(17)8-12/h7-8,11,18,20H,2-6,9-10H2,1H3
InChIKeyNNUOGLGZUXYATL-UHFFFAOYSA-N
XLogP2.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 63051224
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 113222770
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899736
N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 114842146
2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid
CID 103246515
N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 113454150
2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 78916433
N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 105401420
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 104663962

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol (CID 79831124) is 2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol is CC(CNCc1cc(F)c(O)c(F)c1)N1CCCCC1.
What is the InChIKey of 2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol?
The InChIKey is NNUOGLGZUXYATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-11(19-5-3-2-4-6-19)9-18-10-12-7-13(16)15(20)14(17)8-12/h7-8,11,18,20H,2-6,9-10H2,1H3.
What are the key properties of 2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol?
2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol has a molecular weight of 284.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol is sourced from PubChem (CID 79831124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).