(2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one

C15H22N2O2 — CID 119322388

IUPAC(2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc(C2CCN(C(=O)[C@@H](C)N)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(16)15(18)17-9-7-13(8-10-17)12-3-5-14(19-2)6-4-12/h3-6,11,13H,7-10,16H2,1-2H3/t11-/m1/s1
InChIKeyIIXSQSKOBLWSEC-LLVKDONJSA-N
MW262.35 g/mol
LogP1.75
Rot. Bonds3

About (2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one

(2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one (PubChem CID 119322388) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one
PubChem CID119322388
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc(C2CCN(C(=O)[C@@H](C)N)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(16)15(18)17-9-7-13(8-10-17)12-3-5-14(19-2)6-4-12/h3-6,11,13H,7-10,16H2,1-2H3/t11-/m1/s1
InChIKeyIIXSQSKOBLWSEC-LLVKDONJSA-N
XLogP1.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 119313373
(2S)-2-amino-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 100645710
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438
1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309414
3-[4-(4-methoxyphenyl)piperidin-1-yl]-3-oxopropanoic acid
CID 110480149
(2R)-2-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119270091
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 150931787
2-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481433
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one
CID 110480304
methyl 4-[1-(2-methylpropanoyl)piperidin-4-yl]benzoate
CID 170758157
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one (CID 119322388) is (2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one is COc1ccc(C2CCN(C(=O)[C@@H](C)N)CC2)cc1.
What is the InChIKey of (2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one?
The InChIKey is IIXSQSKOBLWSEC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(16)15(18)17-9-7-13(8-10-17)12-3-5-14(19-2)6-4-12/h3-6,11,13H,7-10,16H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.75, 3 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-methoxyphenyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119322388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).