2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol

C19H28ClFN2O2 — CID 126779399

IUPAC2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol
SMILESOCCC1(CNC2CCN(Cc3c(F)cccc3Cl)CC2)CCOC1
InChIInChI=1S/C19H28ClFN2O2/c20-17-2-1-3-18(21)16(17)12-23-8-4-15(5-9-23)22-13-19(6-10-24)7-11-25-14-19/h1-3,15,22,24H,4-14H2
InChIKeyXFXCIWIERCQDEG-UHFFFAOYSA-N
MW370.90 g/mol
LogP2.82
Rot. Bonds7

About 2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol

2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol (PubChem CID 126779399) has the molecular formula C19H28ClFN2O2 and a molecular weight of 370.90 g/mol. Its IUPAC name is 2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol
PubChem CID126779399
Molecular FormulaC19H28ClFN2O2
Molecular Weight370.90 g/mol
Exact Mass370.18
IUPAC Name2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol
SMILESOCCC1(CNC2CCN(Cc3c(F)cccc3Cl)CC2)CCOC1
InChIInChI=1S/C19H28ClFN2O2/c20-17-2-1-3-18(21)16(17)12-23-8-4-15(5-9-23)22-13-19(6-10-24)7-11-25-14-19/h1-3,15,22,24H,4-14H2
InChIKeyXFXCIWIERCQDEG-UHFFFAOYSA-N
XLogP2.82
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol?
The IUPAC name of 2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol (CID 126779399) is 2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol.
What is the SMILES notation for 2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol?
The canonical SMILES for 2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol is OCCC1(CNC2CCN(Cc3c(F)cccc3Cl)CC2)CCOC1.
What is the InChIKey of 2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol?
The InChIKey is XFXCIWIERCQDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClFN2O2/c20-17-2-1-3-18(21)16(17)12-23-8-4-15(5-9-23)22-13-19(6-10-24)7-11-25-14-19/h1-3,15,22,24H,4-14H2.
What are the key properties of 2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol?
2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol has a molecular weight of 370.90 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol is sourced from PubChem (CID 126779399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).