(3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium

C19H26NO+ — CID 7377440

IUPAC(3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium
SMILESC[C@H]1C[C@H](C)C[NH+](CCOc2cccc3ccccc23)C1
InChIInChI=1S/C19H25NO/c1-15-12-16(2)14-20(13-15)10-11-21-19-9-5-7-17-6-3-4-8-18(17)19/h3-9,15-16H,10-14H2,1-2H3/p+1/t15-,16-/m0/s1
InChIKeyZFIZZFZTURMSBT-HOTGVXAUSA-O
MW284.42 g/mol
LogP2.78
Rot. Bonds4

About (3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium

(3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium (PubChem CID 7377440) has the molecular formula C19H26NO+ and a molecular weight of 284.42 g/mol. Its IUPAC name is (3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium.

Molecular Properties

Compound Name(3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium
PubChem CID7377440
Molecular FormulaC19H26NO+
Molecular Weight284.42 g/mol
Exact Mass284.20
IUPAC Name(3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium
SMILESC[C@H]1C[C@H](C)C[NH+](CCOc2cccc3ccccc23)C1
InChIInChI=1S/C19H25NO/c1-15-12-16(2)14-20(13-15)10-11-21-19-9-5-7-17-6-3-4-8-18(17)19/h3-9,15-16H,10-14H2,1-2H3/p+1/t15-,16-/m0/s1
InChIKeyZFIZZFZTURMSBT-HOTGVXAUSA-O
XLogP2.78
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,5R)-3,5-dimethyl-1-[2-(2-naphthalen-1-yloxyethoxy)ethyl]piperidin-1-ium
CID 7411201
(3S,5S)-3,5-dimethyl-1-[2-(2-phenylphenoxy)ethyl]piperidin-1-ium
CID 7410857
4-(2-naphthalen-1-yloxyethyl)morpholin-4-ium
CID 7074084
2-[2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]ethoxy]benzaldehyde
CID 7394484
(3S,5S)-3,5-dimethyl-1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium
CID 7410808
(3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine
CID 7377531
1-(3-naphthalen-1-yloxypropyl)pyrrolidin-1-ium
CID 2237951
3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid
CID 2924114
(3S,5S)-3,5-dimethyl-1-[4-(2-nitrophenoxy)butyl]piperidin-1-ium
CID 2184740
(3S,5S)-1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3,5-dimethylpiperidin-1-ium
CID 7413183
1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium
CID 2057909
1-butoxynaphthalene
CID 13262700

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium?
The IUPAC name of (3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium (CID 7377440) is (3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium.
What is the SMILES notation for (3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium?
The canonical SMILES for (3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium is C[C@H]1C[C@H](C)C[NH+](CCOc2cccc3ccccc23)C1.
What is the InChIKey of (3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium?
The InChIKey is ZFIZZFZTURMSBT-HOTGVXAUSA-O. The full InChI is InChI=1S/C19H25NO/c1-15-12-16(2)14-20(13-15)10-11-21-19-9-5-7-17-6-3-4-8-18(17)19/h3-9,15-16H,10-14H2,1-2H3/p+1/t15-,16-/m0/s1.
What are the key properties of (3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium?
(3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium has a molecular weight of 284.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium is sourced from PubChem (CID 7377440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).