(2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

C24H30FNO2 — CID 10385293

IUPAC(2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1Cc2cccc(OCCCF)c2CC1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H30FNO2/c25-12-5-15-28-24-9-4-8-20-16-23(27)22(17-21(20)24)26-13-10-19(11-14-26)18-6-2-1-3-7-18/h1-4,6-9,19,22-23,27H,5,10-17H2/t22?,23-/m1/s1
InChIKeyAQNQNDPQJNNSPW-OZAIVSQSSA-N
MW383.51 g/mol
LogP4.13
Rot. Bonds6

About (2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

(2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 10385293) has the molecular formula C24H30FNO2 and a molecular weight of 383.51 g/mol. Its IUPAC name is (2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID10385293
Molecular FormulaC24H30FNO2
Molecular Weight383.51 g/mol
Exact Mass383.23
IUPAC Name(2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1Cc2cccc(OCCCF)c2CC1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H30FNO2/c25-12-5-15-28-24-9-4-8-20-16-23(27)22(17-21(20)24)26-13-10-19(11-14-26)18-6-2-1-3-7-18/h1-4,6-9,19,22-23,27H,5,10-17H2/t22?,23-/m1/s1
InChIKeyAQNQNDPQJNNSPW-OZAIVSQSSA-N
XLogP4.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 10385293) is (2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is O[C@@H]1Cc2cccc(OCCCF)c2CC1N1CCC(c2ccccc2)CC1.
What is the InChIKey of (2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is AQNQNDPQJNNSPW-OZAIVSQSSA-N. The full InChI is InChI=1S/C24H30FNO2/c25-12-5-15-28-24-9-4-8-20-16-23(27)22(17-21(20)24)26-13-10-19(11-14-26)18-6-2-1-3-7-18/h1-4,6-9,19,22-23,27H,5,10-17H2/t22?,23-/m1/s1.
What are the key properties of (2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 383.51 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 10385293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).