(2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium

C19H32N2O2+2 — CID 6937934

IUPAC(2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium
SMILESCOc1ccc(C[NH+]2CCC([NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1
InChIInChI=1S/C19H30N2O2/c1-15-12-21(13-16(2)23-15)18-8-10-20(11-9-18)14-17-4-6-19(22-3)7-5-17/h4-7,15-16,18H,8-14H2,1-3H3/p+2/t15-,16+
InChIKeyFISVOPPNAGRPSW-IYBDPMFKSA-P
MW320.48 g/mol
LogP-0.07
Rot. Bonds4

About (2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium

(2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium (PubChem CID 6937934) has the molecular formula C19H32N2O2+2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium.

Molecular Properties

Compound Name(2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium
PubChem CID6937934
Molecular FormulaC19H32N2O2+2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name(2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium
SMILESCOc1ccc(C[NH+]2CCC([NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1
InChIInChI=1S/C19H30N2O2/c1-15-12-21(13-16(2)23-15)18-8-10-20(11-9-18)14-17-4-6-19(22-3)7-5-17/h4-7,15-16,18H,8-14H2,1-3H3/p+2/t15-,16+
InChIKeyFISVOPPNAGRPSW-IYBDPMFKSA-P
XLogP-0.07
TPSA27.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium
CID 7354743
(2S,6S)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium
CID 7354744
(2R,6S)-2,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]morpholin-4-ium
CID 6945711
1-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-methylpiperazine-1,4-diium
CID 7471844
1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium
CID 7026518
4-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium
CID 3318626
(3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol
CID 7439248
13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
CID 7065404
1-[(4-ethoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium
CID 6945670
4-bromo-2-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]piperidin-1-ium-1-yl]methyl]phenol
CID 6980727
1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 4741925
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 6945656

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium?
The IUPAC name of (2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium (CID 6937934) is (2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium.
What is the SMILES notation for (2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium?
The canonical SMILES for (2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium is COc1ccc(C[NH+]2CCC([NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1.
What is the InChIKey of (2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium?
The InChIKey is FISVOPPNAGRPSW-IYBDPMFKSA-P. The full InChI is InChI=1S/C19H30N2O2/c1-15-12-21(13-16(2)23-15)18-8-10-20(11-9-18)14-17-4-6-19(22-3)7-5-17/h4-7,15-16,18H,8-14H2,1-3H3/p+2/t15-,16+.
What are the key properties of (2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium?
(2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium has a molecular weight of 320.48 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium is sourced from PubChem (CID 6937934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).