4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine

C17H24ClFN2O — CID 129369788

IUPAC4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine
SMILESFc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)c(Cl)c1
InChIInChI=1S/C17H24ClFN2O/c18-17-10-16(19)4-3-15(17)13-21-5-1-2-14(12-21)11-20-6-8-22-9-7-20/h3-4,10,14H,1-2,5-9,11-13H2/t14-/m1/s1
InChIKeyIEOKCKPRAPJWQD-CQSZACIVSA-N
MW326.84 g/mol
LogP3.02
Rot. Bonds4

About 4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine

4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine (PubChem CID 129369788) has the molecular formula C17H24ClFN2O and a molecular weight of 326.84 g/mol. Its IUPAC name is 4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine
PubChem CID129369788
Molecular FormulaC17H24ClFN2O
Molecular Weight326.84 g/mol
Exact Mass326.16
IUPAC Name4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine
SMILESFc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)c(Cl)c1
InChIInChI=1S/C17H24ClFN2O/c18-17-10-16(19)4-3-15(17)13-21-5-1-2-14(12-21)11-20-6-8-22-9-7-20/h3-4,10,14H,1-2,5-9,11-13H2/t14-/m1/s1
InChIKeyIEOKCKPRAPJWQD-CQSZACIVSA-N
XLogP3.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.84
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine (CID 129369788) is 4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine is Fc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)c(Cl)c1.
What is the InChIKey of 4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine?
The InChIKey is IEOKCKPRAPJWQD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24ClFN2O/c18-17-10-16(19)4-3-15(17)13-21-5-1-2-14(12-21)11-20-6-8-22-9-7-20/h3-4,10,14H,1-2,5-9,11-13H2/t14-/m1/s1.
What are the key properties of 4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine?
4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine has a molecular weight of 326.84 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 129369788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).