(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol

C16H20NO+ — CID 6939510

IUPAC(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol
SMILESO[C@H]1CCC[NH+](Cc2cccc3ccccc23)C1
InChIInChI=1S/C16H19NO/c18-15-8-4-10-17(12-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15,18H,4,8,10-12H2/p+1/t15-/m0/s1
InChIKeyYEZFYEJRKPRXID-HNNXBMFYSA-O
MW242.34 g/mol
LogP1.38
Rot. Bonds2

About (3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol

(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol (PubChem CID 6939510) has the molecular formula C16H20NO+ and a molecular weight of 242.34 g/mol. Its IUPAC name is (3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol.

Molecular Properties

Compound Name(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol
PubChem CID6939510
Molecular FormulaC16H20NO+
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol
SMILESO[C@H]1CCC[NH+](Cc2cccc3ccccc23)C1
InChIInChI=1S/C16H19NO/c18-15-8-4-10-17(12-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15,18H,4,8,10-12H2/p+1/t15-/m0/s1
InChIKeyYEZFYEJRKPRXID-HNNXBMFYSA-O
XLogP1.38
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol?
The IUPAC name of (3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol (CID 6939510) is (3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol.
What is the SMILES notation for (3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol?
The canonical SMILES for (3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol is O[C@H]1CCC[NH+](Cc2cccc3ccccc23)C1.
What is the InChIKey of (3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol?
The InChIKey is YEZFYEJRKPRXID-HNNXBMFYSA-O. The full InChI is InChI=1S/C16H19NO/c18-15-8-4-10-17(12-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15,18H,4,8,10-12H2/p+1/t15-/m0/s1.
What are the key properties of (3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol?
(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol has a molecular weight of 242.34 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol is sourced from PubChem (CID 6939510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).