(2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium

C19H32N2O+2 — CID 7354743

IUPAC(2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium
SMILESCc1ccc(C[NH+]2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1
InChIInChI=1S/C19H30N2O/c1-15-4-6-18(7-5-15)14-20-10-8-19(9-11-20)21-12-16(2)22-17(3)13-21/h4-7,16-17,19H,8-14H2,1-3H3/p+2/t16-,17-/m1/s1
InChIKeyGFZFAZDCVHIPOI-IAGOWNOFSA-P
MW304.48 g/mol
LogP0.23
Rot. Bonds3

About (2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium

(2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium (PubChem CID 7354743) has the molecular formula C19H32N2O+2 and a molecular weight of 304.48 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium
PubChem CID7354743
Molecular FormulaC19H32N2O+2
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name(2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium
SMILESCc1ccc(C[NH+]2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1
InChIInChI=1S/C19H30N2O/c1-15-4-6-18(7-5-15)14-20-10-8-19(9-11-20)21-12-16(2)22-17(3)13-21/h4-7,16-17,19H,8-14H2,1-3H3/p+2/t16-,17-/m1/s1
InChIKeyGFZFAZDCVHIPOI-IAGOWNOFSA-P
XLogP0.23
TPSA18.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium with MolForge

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Related Compounds

2,6-Dimethyl-4-(1-(4-methylbenzyl)piperidin-4-yl)morpholine hydrochloride
CID 24761181
4-[[4-(4-Piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine
CID 10193234
4-[4-[4-(Piperidin-1-ylmethyl)phenyl]but-3-ynyl]morpholine
CID 10236617
1,4-Bis-(N-[3-(2-methylpiperidin-1-yl)propyl]aminomethyl) benzine
CID 24899044
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
(4-Benzylmorpholin-2-yl)methanamine
CID 2776360
2-(Morpholin-4-yl)-2-phenylethan-1-amine
CID 3158583
1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine
CID 44529513
3-morpholino-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 46937405
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine;hydrochloride
CID 71455185
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine;hydrochloride
CID 71456968
3-(2-methylpiperidin-1-yl)-N-[[4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenyl]methyl]propan-1-amine;hydrochloride
CID 71458844

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium (CID 7354743) is (2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium is Cc1ccc(C[NH+]2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium?
The InChIKey is GFZFAZDCVHIPOI-IAGOWNOFSA-P. The full InChI is InChI=1S/C19H30N2O/c1-15-4-6-18(7-5-15)14-20-10-8-19(9-11-20)21-12-16(2)22-17(3)13-21/h4-7,16-17,19H,8-14H2,1-3H3/p+2/t16-,17-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium?
(2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium has a molecular weight of 304.48 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium is sourced from PubChem (CID 7354743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).