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

C16H24ClFN2O2 — CID 67530037

IUPAC(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
SMILESCC(C)[C@@H](N)C(=O)N1CCC(Oc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C16H23FN2O2.ClH/c1-11(2)15(18)16(20)19-9-7-14(8-10-19)21-13-5-3-12(17)4-6-13;/h3-6,11,14-15H,7-10,18H2,1-2H3;1H/t15-;/m1./s1
InChIKeyZBHCZJFXUQMGTD-XFULWGLBSA-N
MW330.83 g/mol
LogP2.60
Rot. Bonds4

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

(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride (PubChem CID 67530037) has the molecular formula C16H24ClFN2O2 and a molecular weight of 330.83 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
PubChem CID67530037
Molecular FormulaC16H24ClFN2O2
Molecular Weight330.83 g/mol
Exact Mass330.15
IUPAC Name(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
SMILESCC(C)[C@@H](N)C(=O)N1CCC(Oc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C16H23FN2O2.ClH/c1-11(2)15(18)16(20)19-9-7-14(8-10-19)21-13-5-3-12(17)4-6-13;/h3-6,11,14-15H,7-10,18H2,1-2H3;1H/t15-;/m1./s1
InChIKeyZBHCZJFXUQMGTD-XFULWGLBSA-N
XLogP2.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212
(2S)-2-amino-1-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 67530608
(2S)-2-amino-3-methyl-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]butan-1-one;dihydrochloride
CID 67529006
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913
(2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride
CID 67528982
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
tert-butyl N-[(2S)-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
CID 90715922
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 61155723
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 79011459
(2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 154897114
(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119308982
(2S)-2-amino-1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67529877

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride (CID 67530037) is (2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride is CC(C)[C@@H](N)C(=O)N1CCC(Oc2ccc(F)cc2)CC1.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride?
The InChIKey is ZBHCZJFXUQMGTD-XFULWGLBSA-N. The full InChI is InChI=1S/C16H23FN2O2.ClH/c1-11(2)15(18)16(20)19-9-7-14(8-10-19)21-13-5-3-12(17)4-6-13;/h3-6,11,14-15H,7-10,18H2,1-2H3;1H/t15-;/m1./s1.
What are the key properties of (2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride?
(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride has a molecular weight of 330.83 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 67530037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).