[1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol

C16H24F2N2O — CID 63052099

IUPAC[1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol
SMILESCCCNCc1cc(F)c(N2CCC(CO)CC2)c(F)c1
InChIInChI=1S/C16H24F2N2O/c1-2-5-19-10-13-8-14(17)16(15(18)9-13)20-6-3-12(11-21)4-7-20/h8-9,12,19,21H,2-7,10-11H2,1H3
InChIKeyPPQMRAQLKORFJE-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.67
Rot. Bonds6

About [1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol

[1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol (PubChem CID 63052099) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is [1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol
PubChem CID63052099
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name[1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol
SMILESCCCNCc1cc(F)c(N2CCC(CO)CC2)c(F)c1
InChIInChI=1S/C16H24F2N2O/c1-2-5-19-10-13-8-14(17)16(15(18)9-13)20-6-3-12(11-21)4-7-20/h8-9,12,19,21H,2-7,10-11H2,1H3
InChIKeyPPQMRAQLKORFJE-UHFFFAOYSA-N
XLogP2.67
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2,6-difluoro-4-(propylaminomethyl)phenyl]-3-methylpiperidin-4-ol
CID 114679353
[1-[2,6-difluoro-4-(methylaminomethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626635
[1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590500
N-[[4-(2-ethylpyrrolidin-1-yl)-3,5-difluorophenyl]methyl]propan-1-amine
CID 63076783
[1-[2,6-difluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626308
N-[(3,5-difluoro-4-thiomorpholin-4-ylphenyl)methyl]ethanamine
CID 63051774
N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline
CID 55146589
1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43280798
N-[[3,5-difluoro-4-(1,4-oxazepan-4-yl)phenyl]methyl]ethanamine
CID 63075776
1-[2,6-difluoro-4-(hydroxymethyl)phenyl]piperidin-4-ol
CID 63075653
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 63051412
[4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol
CID 55148134

Frequently Asked Questions

What is the IUPAC name of [1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol (CID 63052099) is [1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol is CCCNCc1cc(F)c(N2CCC(CO)CC2)c(F)c1.
What is the InChIKey of [1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol?
The InChIKey is PPQMRAQLKORFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-2-5-19-10-13-8-14(17)16(15(18)9-13)20-6-3-12(11-21)4-7-20/h8-9,12,19,21H,2-7,10-11H2,1H3.
What are the key properties of [1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol?
[1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol has a molecular weight of 298.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 63052099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).