(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine

C19H23FN2O — CID 54152550

IUPAC(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccccc1CN[C@@H]1CCCN[C@@H]1c1cccc(F)c1
InChIInChI=1S/C19H23FN2O/c1-23-18-10-3-2-6-15(18)13-22-17-9-5-11-21-19(17)14-7-4-8-16(20)12-14/h2-4,6-8,10,12,17,19,21-22H,5,9,11,13H2,1H3/t17-,19-/m1/s1
InChIKeyOITAYVQJRGMBHS-IEBWSBKVSA-N
MW314.40 g/mol
LogP3.42
Rot. Bonds5

About (2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine

(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine (PubChem CID 54152550) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is (2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
PubChem CID54152550
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccccc1CN[C@@H]1CCCN[C@@H]1c1cccc(F)c1
InChIInChI=1S/C19H23FN2O/c1-23-18-10-3-2-6-15(18)13-22-17-9-5-11-21-19(17)14-7-4-8-16(20)12-14/h2-4,6-8,10,12,17,19,21-22H,5,9,11,13H2,1H3/t17-,19-/m1/s1
InChIKeyOITAYVQJRGMBHS-IEBWSBKVSA-N
XLogP3.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine
CID 67820293
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride
CID 18533782
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 19696673
(2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 174286456
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54131867

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
The IUPAC name of (2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine (CID 54152550) is (2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
The canonical SMILES for (2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine is COc1ccccc1CN[C@@H]1CCCN[C@@H]1c1cccc(F)c1.
What is the InChIKey of (2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
The InChIKey is OITAYVQJRGMBHS-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-23-18-10-3-2-6-15(18)13-22-17-9-5-11-21-19(17)14-7-4-8-16(20)12-14/h2-4,6-8,10,12,17,19,21-22H,5,9,11,13H2,1H3/t17-,19-/m1/s1.
What are the key properties of (2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine has a molecular weight of 314.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 54152550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).