(3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine

C22H27FN2O2 — CID 58393748

IUPAC(3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
SMILESCOc1ccc(O[C@H]2c3ccccc3CC[C@@H]2N2CCC[C@@H](N)C2)c(F)c1
InChIInChI=1S/C22H27FN2O2/c1-26-17-9-11-21(19(23)13-17)27-22-18-7-3-2-5-15(18)8-10-20(22)25-12-4-6-16(24)14-25/h2-3,5,7,9,11,13,16,20,22H,4,6,8,10,12,14,24H2,1H3/t16-,20+,22+/m1/s1
InChIKeyUDHXISZEDZPYMA-BUVFEPMLSA-N
MW370.47 g/mol
LogP3.69
Rot. Bonds4

About (3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine

(3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine (PubChem CID 58393748) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is (3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
PubChem CID58393748
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name(3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
SMILESCOc1ccc(O[C@H]2c3ccccc3CC[C@@H]2N2CCC[C@@H](N)C2)c(F)c1
InChIInChI=1S/C22H27FN2O2/c1-26-17-9-11-21(19(23)13-17)27-22-18-7-3-2-5-15(18)8-10-20(22)25-12-4-6-16(24)14-25/h2-3,5,7,9,11,13,16,20,22H,4,6,8,10,12,14,24H2,1H3/t16-,20+,22+/m1/s1
InChIKeyUDHXISZEDZPYMA-BUVFEPMLSA-N
XLogP3.69
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine (CID 58393748) is (3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine is COc1ccc(O[C@H]2c3ccccc3CC[C@@H]2N2CCC[C@@H](N)C2)c(F)c1.
What is the InChIKey of (3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The InChIKey is UDHXISZEDZPYMA-BUVFEPMLSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-26-17-9-11-21(19(23)13-17)27-22-18-7-3-2-5-15(18)8-10-20(22)25-12-4-6-16(24)14-25/h2-3,5,7,9,11,13,16,20,22H,4,6,8,10,12,14,24H2,1H3/t16-,20+,22+/m1/s1.
What are the key properties of (3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
(3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine has a molecular weight of 370.47 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine is sourced from PubChem (CID 58393748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).