[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride

C17H23ClF2N2O3 — CID 120926032

IUPAC[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1.Cl
InChIInChI=1S/C17H22F2N2O3.ClH/c1-11-16(20-6-9-23-11)17(22)21-7-4-13(5-8-21)24-15-3-2-12(18)10-14(15)19;/h2-3,10-11,13,16,20H,4-9H2,1H3;1H/t11-,16+;/m1./s1
InChIKeyWCFCQQFPKGVDLD-VAGBGMFXSA-N
MW376.83 g/mol
LogP2.13
Rot. Bonds3

About [4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride

[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride (PubChem CID 120926032) has the molecular formula C17H23ClF2N2O3 and a molecular weight of 376.83 g/mol. Its IUPAC name is [4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
PubChem CID120926032
Molecular FormulaC17H23ClF2N2O3
Molecular Weight376.83 g/mol
Exact Mass376.14
IUPAC Name[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1.Cl
InChIInChI=1S/C17H22F2N2O3.ClH/c1-11-16(20-6-9-23-11)17(22)21-7-4-13(5-8-21)24-15-3-2-12(18)10-14(15)19;/h2-3,10-11,13,16,20H,4-9H2,1H3;1H/t11-,16+;/m1./s1
InChIKeyWCFCQQFPKGVDLD-VAGBGMFXSA-N
XLogP2.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,4-difluorophenoxy)piperidin-1-yl]-morpholin-2-ylmethanone
CID 119736591
(2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone
CID 120925889
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120926045
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 120933033
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124698879
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120921266
[4-(cyclopropylmethoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120935599
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120937671
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120920722
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119296565
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one
CID 112836380

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
The IUPAC name of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride (CID 120926032) is [4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
The canonical SMILES for [4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1.Cl.
What is the InChIKey of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
The InChIKey is WCFCQQFPKGVDLD-VAGBGMFXSA-N. The full InChI is InChI=1S/C17H22F2N2O3.ClH/c1-11-16(20-6-9-23-11)17(22)21-7-4-13(5-8-21)24-15-3-2-12(18)10-14(15)19;/h2-3,10-11,13,16,20H,4-9H2,1H3;1H/t11-,16+;/m1./s1.
What are the key properties of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride has a molecular weight of 376.83 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 120926032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).