[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride

C12H16ClFN2O2 — CID 119934296

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
SMILESCOc1cccc(F)c1C(=O)N1CC[C@H](N)C1.Cl
InChIInChI=1S/C12H15FN2O2.ClH/c1-17-10-4-2-3-9(13)11(10)12(16)15-6-5-8(14)7-15;/h2-4,8H,5-7,14H2,1H3;1H/t8-;/m0./s1
InChIKeyUZFBXMMHQFNMER-QRPNPIFTSA-N
MW274.72 g/mol
LogP1.43
Rot. Bonds2

About [(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride

[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride (PubChem CID 119934296) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
PubChem CID119934296
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
SMILESCOc1cccc(F)c1C(=O)N1CC[C@H](N)C1.Cl
InChIInChI=1S/C12H15FN2O2.ClH/c1-17-10-4-2-3-9(13)11(10)12(16)15-6-5-8(14)7-15;/h2-4,8H,5-7,14H2,1H3;1H/t8-;/m0./s1
InChIKeyUZFBXMMHQFNMER-QRPNPIFTSA-N
XLogP1.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrrolidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119482707
[(3R)-3-aminopyrrolidin-1-yl]-(2,6-difluorophenyl)methanone;hydrochloride
CID 119409169
[4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65435015
(4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 80662755
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 81483168
1-(2-fluoro-6-methoxybenzoyl)piperidine-4-carboxylic acid
CID 65432243
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65433856
[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102978457
(2-fluoro-6-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 65432499
1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid
CID 65432629
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 131889781
[(3R)-3-aminopyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 113282283

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride (CID 119934296) is [(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride is COc1cccc(F)c1C(=O)N1CC[C@H](N)C1.Cl.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride?
The InChIKey is UZFBXMMHQFNMER-QRPNPIFTSA-N. The full InChI is InChI=1S/C12H15FN2O2.ClH/c1-17-10-4-2-3-9(13)11(10)12(16)15-6-5-8(14)7-15;/h2-4,8H,5-7,14H2,1H3;1H/t8-;/m0./s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride?
[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride has a molecular weight of 274.72 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119934296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).