(2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride

C16H25ClN2O4 — CID 154897114

IUPAC(2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCOC[C@@H](N)C(=O)N1CCC(Oc2ccc(OC)cc2)CC1.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-20-11-15(17)16(19)18-9-7-14(8-10-18)22-13-5-3-12(21-2)4-6-13;/h3-6,14-15H,7-11,17H2,1-2H3;1H/t15-;/m1./s1
InChIKeyHLKIQVCEEUSKNS-XFULWGLBSA-N
MW344.84 g/mol
LogP1.46
Rot. Bonds6

About (2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride

(2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 154897114) has the molecular formula C16H25ClN2O4 and a molecular weight of 344.84 g/mol. Its IUPAC name is (2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID154897114
Molecular FormulaC16H25ClN2O4
Molecular Weight344.84 g/mol
Exact Mass344.15
IUPAC Name(2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCOC[C@@H](N)C(=O)N1CCC(Oc2ccc(OC)cc2)CC1.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-20-11-15(17)16(19)18-9-7-14(8-10-18)22-13-5-3-12(21-2)4-6-13;/h3-6,14-15H,7-11,17H2,1-2H3;1H/t15-;/m1./s1
InChIKeyHLKIQVCEEUSKNS-XFULWGLBSA-N
XLogP1.46
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride with MolForge

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Related Compounds

2-amino-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120986431
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
(2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119292093
2-amino-1-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 120993629
(2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70732678
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 81082575
2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one
CID 120984497
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 70779423
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride (CID 154897114) is (2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride is COC[C@@H](N)C(=O)N1CCC(Oc2ccc(OC)cc2)CC1.Cl.
What is the InChIKey of (2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is HLKIQVCEEUSKNS-XFULWGLBSA-N. The full InChI is InChI=1S/C16H24N2O4.ClH/c1-20-11-15(17)16(19)18-9-7-14(8-10-18)22-13-5-3-12(21-2)4-6-13;/h3-6,14-15H,7-11,17H2,1-2H3;1H/t15-;/m1./s1.
What are the key properties of (2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride?
(2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 154897114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).