(3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium

C16H26NO2+ — CID 11921908

IUPAC(3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium
SMILESCOc1ccccc1OCC[NH+]1CC[C@H](C)[C@@H](C)C1
InChIInChI=1S/C16H25NO2/c1-13-8-9-17(12-14(13)2)10-11-19-16-7-5-4-6-15(16)18-3/h4-7,13-14H,8-12H2,1-3H3/p+1/t13-,14-/m0/s1
InChIKeyQTEPPUOVUCXBTM-KBPBESRZSA-O
MW264.39 g/mol
LogP1.63
Rot. Bonds5

About (3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium

(3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium (PubChem CID 11921908) has the molecular formula C16H26NO2+ and a molecular weight of 264.39 g/mol. Its IUPAC name is (3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium.

Molecular Properties

Compound Name(3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium
PubChem CID11921908
Molecular FormulaC16H26NO2+
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name(3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium
SMILESCOc1ccccc1OCC[NH+]1CC[C@H](C)[C@@H](C)C1
InChIInChI=1S/C16H25NO2/c1-13-8-9-17(12-14(13)2)10-11-19-16-7-5-4-6-15(16)18-3/h4-7,13-14H,8-12H2,1-3H3/p+1/t13-,14-/m0/s1
InChIKeyQTEPPUOVUCXBTM-KBPBESRZSA-O
XLogP1.63
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-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

1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium
CID 4541365
1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium
CID 2304779
3-methoxy-2-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethoxy]benzaldehyde
CID 7394819
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide
CID 9442881
4-methyl-1-[2-(2-prop-2-enylphenoxy)ethyl]piperidin-1-ium
CID 2297396
(3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium
CID 7377440
1-[2-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethoxy]phenyl]ethanone
CID 7379412
5-[2-(2-methoxyphenoxy)ethyl]-3-methyl-1,3,5-thiadiazinan-5-ium-2-thione
CID 6955328
1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium
CID 7321439
(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidin-1-ium
CID 2182374
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]benzonitrile
CID 7393960

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium?
The IUPAC name of (3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium (CID 11921908) is (3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium.
What is the SMILES notation for (3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium?
The canonical SMILES for (3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium is COc1ccccc1OCC[NH+]1CC[C@H](C)[C@@H](C)C1.
What is the InChIKey of (3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium?
The InChIKey is QTEPPUOVUCXBTM-KBPBESRZSA-O. The full InChI is InChI=1S/C16H25NO2/c1-13-8-9-17(12-14(13)2)10-11-19-16-7-5-4-6-15(16)18-3/h4-7,13-14H,8-12H2,1-3H3/p+1/t13-,14-/m0/s1.
What are the key properties of (3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium?
(3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium has a molecular weight of 264.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium is sourced from PubChem (CID 11921908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).