1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol

C18H23NO3 — CID 18081673

IUPAC1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol
SMILESOC1CCCN(CC(O)COc2cccc3ccccc23)C1
InChIInChI=1S/C18H23NO3/c20-15-7-4-10-19(11-15)12-16(21)13-22-18-9-3-6-14-5-1-2-8-17(14)18/h1-3,5-6,8-9,15-16,20-21H,4,7,10-13H2
InChIKeyRJZHHRNFYKGDKQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.04
Rot. Bonds5

About 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol

1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol (PubChem CID 18081673) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol
PubChem CID18081673
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol
SMILESOC1CCCN(CC(O)COc2cccc3ccccc23)C1
InChIInChI=1S/C18H23NO3/c20-15-7-4-10-19(11-15)12-16(21)13-22-18-9-3-6-14-5-1-2-8-17(14)18/h1-3,5-6,8-9,15-16,20-21H,4,7,10-13H2
InChIKeyRJZHHRNFYKGDKQ-UHFFFAOYSA-N
XLogP2.04
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
(2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 100856123
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
CID 111103265
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid
CID 110182844
1-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605
(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol
CID 100835791
(3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol
CID 100848872
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol
CID 110877607
2-[2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propoxy]benzenecarbothioamide
CID 62942248
4-[2-hydroxy-3-(3-hydroxypiperidin-1-yl)propoxy]benzonitrile
CID 56809850
1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol
CID 21396143

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol?
The IUPAC name of 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol (CID 18081673) is 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol.
What is the SMILES notation for 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol?
The canonical SMILES for 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol is OC1CCCN(CC(O)COc2cccc3ccccc23)C1.
What is the InChIKey of 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol?
The InChIKey is RJZHHRNFYKGDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-15-7-4-10-19(11-15)12-16(21)13-22-18-9-3-6-14-5-1-2-8-17(14)18/h1-3,5-6,8-9,15-16,20-21H,4,7,10-13H2.
What are the key properties of 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol?
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol has a molecular weight of 301.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol is sourced from PubChem (CID 18081673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).