(2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol

C18H24NO2+ — CID 7385672

IUPAC(2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol
SMILESO[C@H](COc1cccc2ccccc12)C[NH+]1CCCCC1
InChIInChI=1S/C18H23NO2/c20-16(13-19-11-4-1-5-12-19)14-21-18-10-6-8-15-7-2-3-9-17(15)18/h2-3,6-10,16,20H,1,4-5,11-14H2/p+1/t16-/m0/s1
InChIKeyYIGFKEFULNCVMP-INIZCTEOSA-O
MW286.39 g/mol
LogP1.65
Rot. Bonds5

About (2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol

(2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol (PubChem CID 7385672) has the molecular formula C18H24NO2+ and a molecular weight of 286.39 g/mol. Its IUPAC name is (2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol
PubChem CID7385672
Molecular FormulaC18H24NO2+
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name(2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol
SMILESO[C@H](COc1cccc2ccccc12)C[NH+]1CCCCC1
InChIInChI=1S/C18H23NO2/c20-16(13-19-11-4-1-5-12-19)14-21-18-10-6-8-15-7-2-3-9-17(15)18/h2-3,6-10,16,20H,1,4-5,11-14H2/p+1/t16-/m0/s1
InChIKeyYIGFKEFULNCVMP-INIZCTEOSA-O
XLogP1.65
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 4619097
(2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7025108
(1R)-2-[4-[(1S)-1-hydroxy-2-naphthalen-1-yloxyethyl]piperazine-1,4-diium-1-yl]-1-naphthalen-1-yloxyethanol
CID 7231462
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidin-1-ium-2-carboxylic acid
CID 110182843
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605
(2S)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086466
(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086464
1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium
CID 2057909
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
1-(3-naphthalen-1-yloxypropyl)pyrrolidin-1-ium
CID 2237951
(2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 2330413

Frequently Asked Questions

What is the IUPAC name of (2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol (CID 7385672) is (2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol is O[C@H](COc1cccc2ccccc12)C[NH+]1CCCCC1.
What is the InChIKey of (2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol?
The InChIKey is YIGFKEFULNCVMP-INIZCTEOSA-O. The full InChI is InChI=1S/C18H23NO2/c20-16(13-19-11-4-1-5-12-19)14-21-18-10-6-8-15-7-2-3-9-17(15)18/h2-3,6-10,16,20H,1,4-5,11-14H2/p+1/t16-/m0/s1.
What are the key properties of (2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol?
(2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol has a molecular weight of 286.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol is sourced from PubChem (CID 7385672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).