4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol

C23H31FN2O — CID 23723462

IUPAC4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)CC1CCCN(CCc2cccc(F)c2)C1
InChIInChI=1S/C23H31FN2O/c1-2-25(16-20-8-10-23(27)11-9-20)17-21-6-4-13-26(18-21)14-12-19-5-3-7-22(24)15-19/h3,5,7-11,15,21,27H,2,4,6,12-14,16-18H2,1H3
InChIKeyNQLJNIURVHLKPA-UHFFFAOYSA-N
MW370.51 g/mol
LogP4.31
Rot. Bonds8

About 4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol

4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol (PubChem CID 23723462) has the molecular formula C23H31FN2O and a molecular weight of 370.51 g/mol. Its IUPAC name is 4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol
PubChem CID23723462
Molecular FormulaC23H31FN2O
Molecular Weight370.51 g/mol
Exact Mass370.24
IUPAC Name4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)CC1CCCN(CCc2cccc(F)c2)C1
InChIInChI=1S/C23H31FN2O/c1-2-25(16-20-8-10-23(27)11-9-20)17-21-6-4-13-26(18-21)14-12-19-5-3-7-22(24)15-19/h3,5,7-11,15,21,27H,2,4,6,12-14,16-18H2,1H3
InChIKeyNQLJNIURVHLKPA-UHFFFAOYSA-N
XLogP4.31
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol?
The IUPAC name of 4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol (CID 23723462) is 4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol?
The canonical SMILES for 4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol is CCN(Cc1ccc(O)cc1)CC1CCCN(CCc2cccc(F)c2)C1.
What is the InChIKey of 4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol?
The InChIKey is NQLJNIURVHLKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O/c1-2-25(16-20-8-10-23(27)11-9-20)17-21-6-4-13-26(18-21)14-12-19-5-3-7-22(24)15-19/h3,5,7-11,15,21,27H,2,4,6,12-14,16-18H2,1H3.
What are the key properties of 4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol?
4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol has a molecular weight of 370.51 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol is sourced from PubChem (CID 23723462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).