(1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol

C17H21NO2 — CID 14201539

IUPAC(1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol
SMILESO[C@H](COc1ccc2ccccc2c1)[C@H]1CCCCN1
InChIInChI=1S/C17H21NO2/c19-17(16-7-3-4-10-18-16)12-20-15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11,16-19H,3-4,7,10,12H2/t16-,17-/m1/s1
InChIKeyMJYNIIZCJHUPFT-IAGOWNOFSA-N
MW271.36 g/mol
LogP2.72
Rot. Bonds4

About (1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol

(1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol (PubChem CID 14201539) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol
PubChem CID14201539
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol
SMILESO[C@H](COc1ccc2ccccc2c1)[C@H]1CCCCN1
InChIInChI=1S/C17H21NO2/c19-17(16-7-3-4-10-18-16)12-20-15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11,16-19H,3-4,7,10,12H2/t16-,17-/m1/s1
InChIKeyMJYNIIZCJHUPFT-IAGOWNOFSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol?
The IUPAC name of (1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol (CID 14201539) is (1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol.
What is the SMILES notation for (1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol?
The canonical SMILES for (1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol is O[C@H](COc1ccc2ccccc2c1)[C@H]1CCCCN1.
What is the InChIKey of (1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol?
The InChIKey is MJYNIIZCJHUPFT-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17(16-7-3-4-10-18-16)12-20-15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11,16-19H,3-4,7,10,12H2/t16-,17-/m1/s1.
What are the key properties of (1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol?
(1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-naphthalen-2-yloxy-1-[(2R)-piperidin-2-yl]ethanol is sourced from PubChem (CID 14201539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).