(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine

C19H22FNO2 — CID 3012004

IUPAC(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine
SMILESCOc1ccc(OC[C@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO2/c1-22-17-6-8-18(9-7-17)23-13-15-12-21-11-10-19(15)14-2-4-16(20)5-3-14/h2-9,15,19,21H,10-13H2,1H3/t15-,19-/m1/s1
InChIKeyDENRAWQJOJWLNZ-DNVCBOLYSA-N
MW315.39 g/mol
LogP3.61
Rot. Bonds5

About (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine

(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine (PubChem CID 3012004) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine
PubChem CID3012004
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine
SMILESCOc1ccc(OC[C@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO2/c1-22-17-6-8-18(9-7-17)23-13-15-12-21-11-10-19(15)14-2-4-16(20)5-3-14/h2-9,15,19,21H,10-13H2,1H3/t15-,19-/m1/s1
InChIKeyDENRAWQJOJWLNZ-DNVCBOLYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine?
The IUPAC name of (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine (CID 3012004) is (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine.
What is the SMILES notation for (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine?
The canonical SMILES for (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine is COc1ccc(OC[C@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine?
The InChIKey is DENRAWQJOJWLNZ-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-22-17-6-8-18(9-7-17)23-13-15-12-21-11-10-19(15)14-2-4-16(20)5-3-14/h2-9,15,19,21H,10-13H2,1H3/t15-,19-/m1/s1.
What are the key properties of (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine?
(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine has a molecular weight of 315.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine is sourced from PubChem (CID 3012004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).