2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride

C20H24ClFN2O2 — CID 154895868

IUPAC2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C20H23FN2O2.ClH/c21-16-7-4-8-18(14-16)25-17-9-11-23(12-10-17)20(24)19(22)13-15-5-2-1-3-6-15;/h1-8,14,17,19H,9-13,22H2;1H
InChIKeyLGMSKWXNAIXRIK-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.19
Rot. Bonds5

About 2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride

2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride (PubChem CID 154895868) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
PubChem CID154895868
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC Name2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C20H23FN2O2.ClH/c21-16-7-4-8-18(14-16)25-17-9-11-23(12-10-17)20(24)19(22)13-15-5-2-1-3-6-15;/h1-8,14,17,19H,9-13,22H2;1H
InChIKeyLGMSKWXNAIXRIK-UHFFFAOYSA-N
XLogP3.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119292093
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103532839
(2S)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-hydroxy-4-methylsulfanylbutan-1-one
CID 95860958
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119323399
3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one
CID 46968504
2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
CID 138037841
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 119290335
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119827481

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride (CID 154895868) is 2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride is Cl.NC(Cc1ccccc1)C(=O)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of 2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The InChIKey is LGMSKWXNAIXRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2.ClH/c21-16-7-4-8-18(14-16)25-17-9-11-23(12-10-17)20(24)19(22)13-15-5-2-1-3-6-15;/h1-8,14,17,19H,9-13,22H2;1H.
What are the key properties of 2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride has a molecular weight of 378.88 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 154895868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).