1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride

C15H23ClN2O2 — CID 119592553

IUPAC1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride
SMILESCOC(C(=O)N1CCC(N)C(C)C1)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-10-17(9-8-13(11)16)15(18)14(19-2)12-6-4-3-5-7-12;/h3-7,11,13-14H,8-10,16H2,1-2H3;1H
InChIKeyVRZMMVFDFDVMQZ-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.99
Rot. Bonds3

About 1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride

1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride (PubChem CID 119592553) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride
PubChem CID119592553
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride
SMILESCOC(C(=O)N1CCC(N)C(C)C1)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-10-17(9-8-13(11)16)15(18)14(19-2)12-6-4-3-5-7-12;/h3-7,11,13-14H,8-10,16H2,1-2H3;1H
InChIKeyVRZMMVFDFDVMQZ-UHFFFAOYSA-N
XLogP1.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
methyl 1-(2-methoxy-2-phenylacetyl)pyrrolidine-3-carboxylate
CID 112733867
(2S)-1-[(3S,4S)-4-tert-butyl-3-hydroxypiperidin-1-yl]-2-methoxy-2-phenylethanone
CID 98856814
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 114506492
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 124677545
1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide
CID 62098751
4-(2-methoxy-2-phenylacetyl)morpholine-2-carboxamide
CID 49417402
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride?
The IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride (CID 119592553) is 1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride.
What is the SMILES notation for 1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride?
The canonical SMILES for 1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride is COC(C(=O)N1CCC(N)C(C)C1)c1ccccc1.Cl.
What is the InChIKey of 1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride?
The InChIKey is VRZMMVFDFDVMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11-10-17(9-8-13(11)16)15(18)14(19-2)12-6-4-3-5-7-12;/h3-7,11,13-14H,8-10,16H2,1-2H3;1H.
What are the key properties of 1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride?
1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride is sourced from PubChem (CID 119592553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).